4-(diethylamino)-2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-2-sulfanyl-butanenitrile hydrochloride

Systemtic Name: 4-(diethylamino)-2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-2-sulfanyl-butanenitrile hydrochloride Openeye Name: 4-(diethylamino)-2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-2-sulfanyl-butanenitrile hydrochloride CAS Name: 4-(diethylamino)-2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-2-mercaptobutanenitrile hydrochloride IUPAC Name: 4-(diethylamino)-2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-2-sulfanylbutanenitrile hydrochloride Traditional Name: 4-(diethylamino)-2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-2-mercapto-butyronitrile hydrochloride Formula: C19H28ClN3O2S MolecularWeight: 397.96252

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCC(C#N)(C1=NCCC2=CC(=C(C=C21)OC)OC)S.Cl

Isomeric SMILES

CCN(CC)CCC(C#N)(C1=NCCC2=CC(=C(C=C21)OC)OC)S.Cl

InChI

InChI=1S/C19H27N3O2S.ClH/c1-5-22(6-2)10-8-19(25,13-20)18-15-12-17(24-4)16(23-3)11-14(15)7-9-21-18;/h11-12,25H,5-10H2,1-4H3;1H