2-(azepan-1-ium-1-yl)ethyl adamantane-1-carboxylate chloride

Systemtic Name: 2-(azepan-1-ium-1-yl)ethyl adamantane-1-carboxylate chloride Openeye Name: 2-(azepan-1-ium-1-yl)ethyl adamantane-1-carboxylate chloride CAS Name: 1-adamantanecarboxylic acid 2-(1-azepan-1-iumyl)ethyl ester chloride IUPAC Name: 2-(azepan-1-ium-1-yl)ethyl adamantane-1-carboxylate chloride Traditional Name: adamantane-1-carboxylic acid 2-(azepan-1-ium-1-yl)ethyl ester chloride Formula: C19H32ClNO2 MolecularWeight: 341.91588

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CCOC(=O)C23CC4CC(C2)CC(C4)C3.[Cl-]

Isomeric SMILES

C1CCC[NH+](CC1)CCOC(=O)C23CC4CC(C2)CC(C4)C3.[Cl-]

InChI

InChI=1S/C19H31NO2.ClH/c21-18(22-8-7-20-5-3-1-2-4-6-20)19-12-15-9-16(13-19)11-17(10-15)14-19;/h15-17H,1-14H2;1H