methyl 2-(azepan-1-ium-1-yl)-2-phenyl-ethanoate chloride

Systemtic Name: methyl 2-(azepan-1-ium-1-yl)-2-phenyl-ethanoate chloride Openeye Name: methyl 2-(azepan-1-ium-1-yl)-2-phenyl-acetate chloride CAS Name: 2-(1-azepan-1-iumyl)-2-phenylacetic acid methyl ester chloride IUPAC Name: methyl 2-(azepan-1-ium-1-yl)-2-phenylacetate chloride Traditional Name: 2-(azepan-1-ium-1-yl)-2-phenyl-acetic acid methyl ester chloride Formula: C15H22ClNO2 MolecularWeight: 283.79368

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=CC=C1)[NH+]2CCCCCC2.[Cl-]

Isomeric SMILES

COC(=O)C(C1=CC=CC=C1)[NH+]2CCCCCC2.[Cl-]

InChI

InChI=1S/C15H21NO2.ClH/c1-18-15(17)14(13-9-5-4-6-10-13)16-11-7-2-3-8-12-16;/h4-6,9-10,14H,2-3,7-8,11-12H2,1H3;1H