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

Systemtic Name: 2-(azepan-1-ium-1-yl)ethyl 2,2-diphenylethanoate chloride Openeye Name: 2-(azepan-1-ium-1-yl)ethyl 2,2-diphenylacetate chloride CAS Name: 2,2-diphenylacetic acid 2-(1-azepan-1-iumyl)ethyl ester chloride IUPAC Name: 2-(azepan-1-ium-1-yl)ethyl 2,2-diphenylacetate chloride Traditional Name: 2,2-diphenylacetic acid 2-(azepan-1-ium-1-yl)ethyl ester chloride Formula: C22H28ClNO2 MolecularWeight: 373.91622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO2.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;/h3-8,11-14,21H,1-2,9-10,15-18H2;1H