3-[(2S)-1-methyl-3,4-dihydro-2H-pyrrol-1-ium-2-yl]pyridine
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![3-[(2S)-1-methyl-3,4-dihydro-2H-pyrrol-1-ium-2-yl]pyridine structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/ce550684363948ccb0de3a63e034bb53.png "3-[(2S)-1-methyl-3,4-dihydro-2H-pyrrol-1-ium-2-yl]pyridine")
3-[(2S)-1-methyl-3,4-dihydro-2H-pyrrol-1-ium-2-yl]pyridine
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CAS No:
42459-13-2
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Formula:
C10H13N2+
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Chemical Name:
3-[(2S)-1-methyl-3,4-dihydro-2H-pyrrol-1-ium-2-yl]pyridine
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Synonyms:
nicotine delta 1'(5)' iminium ion;nicotine imine;nicotine iminium;nicotine iminium;nicotine-Delta1'5'-iminium ion;3-[(2S)-1-methyl-3,4-dihydro-2H-pyrrol-1-ium-2-yl]pyridine;11C-nicotine imine;42459-13-2;(S)-1-(methylene-11C)-2-(3-pyridinyl)pyrrolidinium;AC1L48GZ;CHEMBL3126023;SCHEMBL13073601;DTXSID10962504;BDBM109780;2H-Pyrrolium, 3,4-dihydro-1-methyl-2-(3-pyridinyl)-, (S)-;CPD-3186;ZINC5159450;US8609708, 93 Nicotine ?1'-5'-iminium ion;US8609708, 93 Nicotine Delta1'-5'-iminium ion;pyrrolidium, 1-(methylene-11C)-2-(3-pyridinyl)-, (S)-;1-METHYL-2-(PYRIDIN-3-YL)-3,4-DIHYDRO-2H-PYRROL-1-IUM;[(S)-3,4-Dihydro-1-methyl-2alpha-(pyridin-3-yl)-2H-pyrrol]-1-ium
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CAS No:
3-[(2S)-1-methyl-3,4-dihydro-2H-pyrrol-1-ium-2-yl]pyridine Basic Attributes
161.22 g/mol
161.107873423 g/mol
Drug Information
(S)-Nicotine iminium ion is a known human metabolite of nicotine.
nicotine delta 1'(5)' iminium ion
Computed Properties
Molecular Weight:161.22
XLogP3:0.2
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:161.107873423
Monoisotopic Mass:161.107873423
Topological Polar Surface Area:15.9
Heavy Atom Count:12
Formal Charge:1
Complexity:186
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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