2-(2-diethylaminoethylsulfanyl)-2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)ethanenitrile hydrochloride

Systemtic Name: 2-(2-diethylaminoethylsulfanyl)-2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)ethanenitrile hydrochloride Openeye Name: 2-(2-diethylaminoethylsulfanyl)-2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)acetonitrile hydrochloride CAS Name: 2-(2-diethylaminoethylthio)-2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)acetonitrile hydrochloride IUPAC Name: 2-(2-diethylaminoethylsulfanyl)-2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)acetonitrile hydrochloride Traditional Name: 2-(2-diethylaminoethylthio)-2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)acetonitrile hydrochloride Formula: C19H28ClN3O2S MolecularWeight: 397.96252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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