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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C3=C(C2(C)C4CCNCC4)C(=CC=C3)CC=O.Cl

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C3=C(C2(C)C4CCNCC4)C(=CC=C3)CC=O.Cl

InChI

InChI=1S/C23H26N2O2.ClH/c1-16-6-8-19(9-7-16)25-22(27)20-5-3-4-17(12-15-26)21(20)23(25,2)18-10-13-24-14-11-18;/h3-9,15,18,24H,10-14H2,1-2H3;1H