(1-methyl-4-phenyl-azepan-4-yl)methyl ethanoate hydrochloride

Systemtic Name: (1-methyl-4-phenyl-azepan-4-yl)methyl ethanoate hydrochloride Openeye Name: (1-methyl-4-phenyl-azepan-4-yl)methyl acetate hydrochloride CAS Name: acetic acid (1-methyl-4-phenyl-4-azepanyl)methyl ester hydrochloride IUPAC Name: (1-methyl-4-phenylazepan-4-yl)methyl acetate hydrochloride Traditional Name: acetic acid (1-methyl-4-phenyl-azepan-4-yl)methyl ester hydrochloride Formula: C16H24ClNO2 MolecularWeight: 297.82026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1(CCCN(CC1)C)C2=CC=CC=C2.Cl

Isomeric SMILES

CC(=O)OCC1(CCCN(CC1)C)C2=CC=CC=C2.Cl

InChI

InChI=1S/C16H23NO2.ClH/c1-14(18)19-13-16(15-7-4-3-5-8-15)9-6-11-17(2)12-10-16;/h3-5,7-8H,6,9-13H2,1-2H3;1H