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

Systemtic Name: 2-[[1-[2-(2-propoxyphenyl)ethyl]piperidin-4-yl]methyl]-3H-isoindol-1-one hydrochloride Openeye Name: 2-[[1-[2-(2-propoxyphenyl)ethyl]-4-piperidyl]methyl]isoindolin-1-one hydrochloride CAS Name: 2-[[1-[2-(2-propoxyphenyl)ethyl]-4-piperidinyl]methyl]-3H-isoindol-1-one hydrochloride IUPAC Name: 2-[[1-[2-(2-propoxyphenyl)ethyl]piperidin-4-yl]methyl]-3H-isoindol-1-one hydrochloride Traditional Name: 2-[[1-[2-(2-propoxyphenyl)ethyl]-4-piperidyl]methyl]isoindolin-1-one hydrochloride Formula: C25H33ClN2O2 MolecularWeight: 428.99472

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1CCN2CCC(CC2)CN3CC4=CC=CC=C4C3=O.Cl

Isomeric SMILES

CCCOC1=CC=CC=C1CCN2CCC(CC2)CN3CC4=CC=CC=C4C3=O.Cl

InChI

InChI=1S/C25H32N2O2.ClH/c1-2-17-29-24-10-6-4-7-21(24)13-16-26-14-11-20(12-15-26)18-27-19-22-8-3-5-9-23(22)25(27)28;/h3-10,20H,2,11-19H2,1H3;1H