5,6-dimethoxy-2-[[1-(3-pyridin-3-ylpropyl)piperidin-3-yl]methyl]-3H-isoindol-1-one hydrate dihydrochloride

Systemtic Name: 5,6-dimethoxy-2-[[1-(3-pyridin-3-ylpropyl)piperidin-3-yl]methyl]-3H-isoindol-1-one hydrate dihydrochloride Openeye Name: 5,6-dimethoxy-2-[[1-[3-(3-pyridyl)propyl]-3-piperidyl]methyl]isoindolin-1-one hydrate dihydrochloride CAS Name: 5,6-dimethoxy-2-[[1-[3-(3-pyridinyl)propyl]-3-piperidinyl]methyl]-3H-isoindol-1-one hydrate dihydrochloride IUPAC Name: 5,6-dimethoxy-2-[[1-(3-pyridin-3-ylpropyl)piperidin-3-yl]methyl]-3H-isoindol-1-one hydrate dihydrochloride Traditional Name: 5,6-dimethoxy-2-[[1-[3-(3-pyridyl)propyl]-3-piperidyl]methyl]isoindolin-1-one hydrate dihydrochloride Formula: C24H35Cl2N3O4 MolecularWeight: 500.4584

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CN(C2=O)CC3CCCN(C3)CCCC4=CN=CC=C4)OC.O.Cl.Cl

Isomeric SMILES

COC1=C(C=C2C(=C1)CN(C2=O)CC3CCCN(C3)CCCC4=CN=CC=C4)OC.O.Cl.Cl

InChI

InChI=1S/C24H31N3O3.2ClH.H2O/c1-29-22-12-20-17-27(24(28)21(20)13-23(22)30-2)16-19-8-5-11-26(15-19)10-4-7-18-6-3-9-25-14-18;;;/h3,6,9,12-14,19H,4-5,7-8,10-11,15-17H2,1-2H3;2*1H;1H2