1-heptyl-6,7-dimethoxy-3-(4-methylphenyl)sulfanyl-isoquinoline dihydrochloride

Systemtic Name: 1-heptyl-6,7-dimethoxy-3-(4-methylphenyl)sulfanyl-isoquinoline dihydrochloride Openeye Name: 1-heptyl-6,7-dimethoxy-3-(p-tolylsulfanyl)isoquinoline dihydrochloride CAS Name: 1-heptyl-6,7-dimethoxy-3-[(4-methylphenyl)thio]isoquinoline dihydrochloride IUPAC Name: 1-heptyl-6,7-dimethoxy-3-(4-methylphenyl)sulfanylisoquinoline dihydrochloride Traditional Name: 1-heptyl-6,7-dimethoxy-3-(p-tolylthio)isoquinoline dihydrochloride Formula: C25H33Cl2NO2S MolecularWeight: 482.50602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=NC(=CC2=CC(=C(C=C21)OC)OC)SC3=CC=C(C=C3)C.Cl.Cl

Isomeric SMILES

CCCCCCCC1=NC(=CC2=CC(=C(C=C21)OC)OC)SC3=CC=C(C=C3)C.Cl.Cl

InChI

InChI=1S/C25H31NO2S.2ClH/c1-5-6-7-8-9-10-22-21-17-24(28-4)23(27-3)15-19(21)16-25(26-22)29-20-13-11-18(2)12-14-20;;/h11-17H,5-10H2,1-4H3;2*1H