5,6-dimethoxy-2-[3-[methyl(4-thiophen-2-ylbutyl)amino]propyl]-3H-isoindol-1-one hydrochloride

Systemtic Name: 5,6-dimethoxy-2-[3-[methyl(4-thiophen-2-ylbutyl)amino]propyl]-3H-isoindol-1-one hydrochloride Openeye Name: 5,6-dimethoxy-2-[3-[methyl-[4-(2-thienyl)butyl]amino]propyl]isoindolin-1-one hydrochloride CAS Name: 5,6-dimethoxy-2-[3-[methyl(4-thiophen-2-ylbutyl)amino]propyl]-3H-isoindol-1-one hydrochloride IUPAC Name: 5,6-dimethoxy-2-[3-[methyl(4-thiophen-2-ylbutyl)amino]propyl]-3H-isoindol-1-one hydrochloride Traditional Name: 5,6-dimethoxy-2-[3-[methyl-[4-(2-thienyl)butyl]amino]propyl]isoindolin-1-one hydrochloride Formula: C22H31ClN2O3S MolecularWeight: 439.01114

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCCC1=CC=CS1)CCCN2CC3=CC(=C(C=C3C2=O)OC)OC.Cl

Isomeric SMILES

CN(CCCCC1=CC=CS1)CCCN2CC3=CC(=C(C=C3C2=O)OC)OC.Cl

InChI

InChI=1S/C22H30N2O3S.ClH/c1-23(10-5-4-8-18-9-6-13-28-18)11-7-12-24-16-17-14-20(26-2)21(27-3)15-19(17)22(24)25;/h6,9,13-15H,4-5,7-8,10-12,16H2,1-3H3;1H