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(1-ethyl-1-methylpiperidin-1-ium-4-yl) 2-(azepan-1-yl)-2-(1,2-benzoxazol-3-yl)acetate
(1-ethyl-1-methylpiperidin-1-ium-4-yl) 2-(azepan-1-yl)-2-(1,2-benzoxazol-3-yl)acetate
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(1-ethyl-1-methylpiperidin-1-ium-4-yl) 2-(azepan-1-yl)-2-(1,2-benzoxazol-3-yl)acetate
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CAS No:
86434-70-0
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Formula:
C23H34N3O3+
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Chemical Name:
(1-ethyl-1-methylpiperidin-1-ium-4-yl) 2-(azepan-1-yl)-2-(1,2-benzoxazol-3-yl)acetate
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Synonyms:
CHEMBL2110605;SCHEMBL10918897;(1-ethyl-1-methylpiperidin-1-ium-4-yl) 2-(azepan-1-yl)-2-(1,2-benzoxazol-3-yl)acetate
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CAS No:
(1-ethyl-1-methylpiperidin-1-ium-4-yl) 2-(azepan-1-yl)-2-(1,2-benzoxazol-3-yl)acetate Basic Attributes
400.5 g/mol
400.26001696 g/mol
Computed Properties
Molecular Weight:400.5
XLogP3:3.9
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:400.26001696
Monoisotopic Mass:400.26001696
Topological Polar Surface Area:55.6
Heavy Atom Count:29
Formal Charge:1
Complexity:542
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Guide of (1-ethyl-1-methylpiperidin-1-ium-4-yl) 2-(azepan-1-yl)-2-(1,2-benzoxazol-3-yl)acetate
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