3-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]-2-methyl-3-piperidin-4-yl-isoindol-1-one hydrochloride

Systemtic Name: 3-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]-2-methyl-3-piperidin-4-yl-isoindol-1-one hydrochloride Openeye Name: 3-[2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl]-2-methyl-3-(4-piperidyl)isoindolin-1-one hydrochloride CAS Name: 3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-2-methyl-3-(4-piperidinyl)-1-isoindolone hydrochloride IUPAC Name: 3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-2-methyl-3-piperidin-4-ylisoindol-1-one hydrochloride Traditional Name: 3-[2-(1,3-benzodioxol-5-yl)-2-keto-ethyl]-2-methyl-3-(4-piperidyl)isoindolin-1-one hydrochloride Formula: C23H25ClN2O4 MolecularWeight: 428.9086

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C1(CC(=O)C3=CC4=C(C=C3)OCO4)C5CCNCC5.Cl

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C1(CC(=O)C3=CC4=C(C=C3)OCO4)C5CCNCC5.Cl

InChI

InChI=1S/C23H24N2O4.ClH/c1-25-22(27)17-4-2-3-5-18(17)23(25,16-8-10-24-11-9-16)13-19(26)15-6-7-20-21(12-15)29-14-28-20;/h2-7,12,16,24H,8-11,13-14H2,1H3;1H