3-(azepan-1-ium-1-yl)propyl 2,2-diphenyl-2-propoxy-ethanoate chloride

Systemtic Name: 3-(azepan-1-ium-1-yl)propyl 2,2-diphenyl-2-propoxy-ethanoate chloride Openeye Name: 3-(azepan-1-ium-1-yl)propyl 2,2-diphenyl-2-propoxy-acetate chloride CAS Name: 2,2-diphenyl-2-propoxyacetic acid 3-(1-azepan-1-iumyl)propyl ester chloride IUPAC Name: 3-(azepan-1-ium-1-yl)propyl 2,2-diphenyl-2-propoxyacetate chloride Traditional Name: 2,2-diphenyl-2-propoxy-acetic acid 3-(azepan-1-ium-1-yl)propyl ester chloride Formula: C26H36ClNO3 MolecularWeight: 446.02194

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)OCCC[NH+]3CCCCCC3.[Cl-]

Isomeric SMILES

CCCOC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)OCCC[NH+]3CCCCCC3.[Cl-]

InChI

InChI=1S/C26H35NO3.ClH/c1-2-21-30-26(23-14-7-5-8-15-23,24-16-9-6-10-17-24)25(28)29-22-13-20-27-18-11-3-4-12-19-27;/h5-10,14-17H,2-4,11-13,18-22H2,1H3;1H