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

Systemtic Name: 2-[[1-(phenylmethyl)piperidin-4-yl]methyl]-3H-isoindol-1-one hydrochloride Openeye Name: 2-[(1-benzyl-4-piperidyl)methyl]isoindolin-1-one hydrochloride CAS Name: 2-[[1-(phenylmethyl)-4-piperidinyl]methyl]-3H-isoindol-1-one hydrochloride IUPAC Name: 2-[(1-benzylpiperidin-4-yl)methyl]-3H-isoindol-1-one hydrochloride Traditional Name: 2-[(1-benzyl-4-piperidyl)methyl]isoindolin-1-one hydrochloride Formula: C21H25ClN2O MolecularWeight: 356.889

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CN2CC3=CC=CC=C3C2=O)CC4=CC=CC=C4.Cl

Isomeric SMILES

C1CN(CCC1CN2CC3=CC=CC=C3C2=O)CC4=CC=CC=C4.Cl

InChI

InChI=1S/C21H24N2O.ClH/c24-21-20-9-5-4-8-19(20)16-23(21)15-18-10-12-22(13-11-18)14-17-6-2-1-3-7-17;/h1-9,18H,10-16H2;1H