methyl (2S)-2-(3-methylphenyl)-2-[(2S)-piperidin-2-yl]ethanoate hydrochloride

Systemtic Name: methyl (2S)-2-(3-methylphenyl)-2-[(2S)-piperidin-2-yl]ethanoate hydrochloride Openeye Name: methyl (2S)-2-(m-tolyl)-2-[(2S)-2-piperidyl]acetate hydrochloride CAS Name: (2S)-2-(3-methylphenyl)-2-[(2S)-2-piperidinyl]acetic acid methyl ester hydrochloride IUPAC Name: methyl (2S)-2-(3-methylphenyl)-2-[(2S)-piperidin-2-yl]acetate hydrochloride Traditional Name: (2S)-2-(m-tolyl)-2-[(2S)-2-piperidyl]acetic acid methyl ester hydrochloride Formula: C15H22ClNO2 MolecularWeight: 283.79368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(C2CCCCN2)C(=O)OC.Cl

Isomeric SMILES

CC1=CC(=CC=C1)[C@@H]([C@@H]2CCCCN2)C(=O)OC.Cl

InChI

InChI=1S/C15H21NO2.ClH/c1-11-6-5-7-12(10-11)14(15(17)18-2)13-8-3-4-9-16-13;/h5-7,10,13-14,16H,3-4,8-9H2,1-2H3;1H/t13-,14-;/m0./s1