3-(2-methyl-1-oxidanylidene-3-phenyl-3-piperidin-4-yl-isoindol-4-yl)propanal hydrochloride

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C1(C3CCNCC3)C4=CC=CC=C4)C(=CC=C2)CCC=O.Cl

Isomeric SMILES

CN1C(=O)C2=C(C1(C3CCNCC3)C4=CC=CC=C4)C(=CC=C2)CCC=O.Cl

InChI

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