[2-(1-methylazepan-1-ium-1-yl)-1-phenyl-ethyl] ethanoate

Systemtic Name: [2-(1-methylazepan-1-ium-1-yl)-1-phenyl-ethyl] ethanoate Openeye Name: [2-(1-methylazepan-1-ium-1-yl)-1-phenyl-ethyl] acetate CAS Name: acetic acid [2-(1-methyl-1-azepan-1-iumyl)-1-phenylethyl] ester IUPAC Name: [2-(1-methylazepan-1-ium-1-yl)-1-phenylethyl] acetate Traditional Name: acetic acid [2-(1-methylazepan-1-ium-1-yl)-1-phenyl-ethyl] ester Formula: C17H26NO2+ MolecularWeight: 276.39384

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C[N+]1(CCCCCC1)C)C2=CC=CC=C2

Isomeric SMILES

CC(=O)OC(C[N+]1(CCCCCC1)C)C2=CC=CC=C2

InChI

InChI=1S/C17H26NO2/c1-15(19)20-17(16-10-6-5-7-11-16)14-18(2)12-8-3-4-9-13-18/h5-7,10-11,17H,3-4,8-9,12-14H2,1-2H3/q+1