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2-(azepan-1-ium-1-yl)ethyl 2,2-dicyclohexylethanoate chloride

2-(azepan-1-ium-1-yl)ethyl 2,2-dicyclohexylethanoate chloride

Systemtic Name:2-(azepan-1-ium-1-yl)ethyl 2,2-dicyclohexylethanoate chloride
Openeye Name:2-(azepan-1-ium-1-yl)ethyl 2,2-dicyclohexylacetate chloride
CAS Name:2,2-dicyclohexylacetic acid 2-(1-azepan-1-iumyl)ethyl ester chloride
IUPAC Name:2-(azepan-1-ium-1-yl)ethyl 2,2-dicyclohexylacetate chloride
Traditional Name:2,2-dicyclohexylacetic acid 2-(azepan-1-ium-1-yl)ethyl ester chloride
Formula: C22H40ClNO2
MolecularWeight: 386.0115
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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CCOC(=O)C(C2CCCCC2)C3CCCCC3.[Cl-]


Isomeric SMILES

C1CCC[NH+](CC1)CCOC(=O)C(C2CCCCC2)C3CCCCC3.[Cl-]


InChI

InChI=1S/C22H39NO2.ClH/c24-22(25-18-17-23-15-9-1-2-10-16-23)21(19-11-5-3-6-12-19)20-13-7-4-8-14-20;/h19-21H,1-18H2;1H


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