3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)carbothioylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)carbothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioyl)amino]propyl-dimethylazanium Traditional Name: 3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioyl)amino]propyl-dimethyl-ammonium Formula: C17H28N3O2S+ MolecularWeight: 338.48812

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=S)N1CCC2=CC(=C(C=C2C1)OC)OC

Isomeric SMILES

C[NH+](C)CCCNC(=S)N1CCC2=CC(=C(C=C2C1)OC)OC

InChI

InChI=1S/C17H27N3O2S/c1-19(2)8-5-7-18-17(23)20-9-6-13-10-15(21-3)16(22-4)11-14(13)12-20/h10-11H,5-9,12H2,1-4H3,(H,18,23)/p+1