2-methyl-4-(2-oxidanylidenepropyl)-3-phenyl-3-piperidin-4-yl-isoindol-1-one hydrochloride

Systemtic Name: 2-methyl-4-(2-oxidanylidenepropyl)-3-phenyl-3-piperidin-4-yl-isoindol-1-one hydrochloride Openeye Name: 4-acetonyl-2-methyl-3-phenyl-3-(4-piperidyl)isoindolin-1-one hydrochloride CAS Name: 2-methyl-4-(2-oxopropyl)-3-phenyl-3-(4-piperidinyl)-1-isoindolone hydrochloride IUPAC Name: 2-methyl-4-(2-oxopropyl)-3-phenyl-3-piperidin-4-ylisoindol-1-one hydrochloride Traditional Name: 4-acetonyl-2-methyl-3-phenyl-3-(4-piperidyl)isoindolin-1-one hydrochloride Formula: C23H27ClN2O2 MolecularWeight: 398.92568

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1=CC=CC2=C1C(N(C2=O)C)(C3CCNCC3)C4=CC=CC=C4.Cl

Isomeric SMILES

CC(=O)CC1=CC=CC2=C1C(N(C2=O)C)(C3CCNCC3)C4=CC=CC=C4.Cl

InChI

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