5,6-dimethoxy-2-[3-[methyl(2-thiophen-2-ylethyl)amino]propyl]-3H-isoindol-1-one hydrochloride

Systemtic Name: 5,6-dimethoxy-2-[3-[methyl(2-thiophen-2-ylethyl)amino]propyl]-3H-isoindol-1-one hydrochloride Openeye Name: 5,6-dimethoxy-2-[3-[methyl-[2-(2-thienyl)ethyl]amino]propyl]isoindolin-1-one hydrochloride CAS Name: 5,6-dimethoxy-2-[3-[methyl(2-thiophen-2-ylethyl)amino]propyl]-3H-isoindol-1-one hydrochloride IUPAC Name: 5,6-dimethoxy-2-[3-[methyl(2-thiophen-2-ylethyl)amino]propyl]-3H-isoindol-1-one hydrochloride Traditional Name: 5,6-dimethoxy-2-[3-[methyl-[2-(2-thienyl)ethyl]amino]propyl]isoindolin-1-one hydrochloride Formula: C20H27ClN2O3S MolecularWeight: 410.95798

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCN1CC2=CC(=C(C=C2C1=O)OC)OC)CCC3=CC=CS3.Cl

Isomeric SMILES

CN(CCCN1CC2=CC(=C(C=C2C1=O)OC)OC)CCC3=CC=CS3.Cl

InChI

InChI=1S/C20H26N2O3S.ClH/c1-21(10-7-16-6-4-11-26-16)8-5-9-22-14-15-12-18(24-2)19(25-3)13-17(15)20(22)23;/h4,6,11-13H,5,7-10,14H2,1-3H3;1H