2-[[1-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]piperidin-4-yl]methyl]-3H-isoindol-1-one hydrochloride

Systemtic Name: 2-[[1-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]piperidin-4-yl]methyl]-3H-isoindol-1-one hydrochloride Openeye Name: 2-[[1-[2-oxo-2-(p-tolyl)ethyl]-4-piperidyl]methyl]isoindolin-1-one hydrochloride CAS Name: 2-[[1-[2-(4-methylphenyl)-2-oxoethyl]-4-piperidinyl]methyl]-3H-isoindol-1-one hydrochloride IUPAC Name: 2-[[1-[2-(4-methylphenyl)-2-oxoethyl]piperidin-4-yl]methyl]-3H-isoindol-1-one hydrochloride Traditional Name: 2-[[1-[2-keto-2-(p-tolyl)ethyl]-4-piperidyl]methyl]isoindolin-1-one hydrochloride Formula: C23H27ClN2O2 MolecularWeight: 398.92568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CN2CCC(CC2)CN3CC4=CC=CC=C4C3=O.Cl

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CN2CCC(CC2)CN3CC4=CC=CC=C4C3=O.Cl

InChI

InChI=1S/C23H26N2O2.ClH/c1-17-6-8-19(9-7-17)22(26)16-24-12-10-18(11-13-24)14-25-15-20-4-2-3-5-21(20)23(25)27;/h2-9,18H,10-16H2,1H3;1H