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

Systemtic Name: 2-[[(1R)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]carbothioylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[(1R)-6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinoline-2-carbothioyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[(1R)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[(1R)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinoline-2-carbothioyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[(1R)-6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinoline-2-carbothioyl]amino]ethyl-dimethyl-ammonium Formula: C20H28N3O2S2+ MolecularWeight: 406.58522

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=S)N1CCC2=CC(=C(C=C2C1C3=CC=CS3)OC)OC

Isomeric SMILES

C[NH+](C)CCNC(=S)N1CCC2=CC(=C(C=C2[C@@H]1C3=CC=CS3)OC)OC

InChI

InChI=1S/C20H27N3O2S2/c1-22(2)10-8-21-20(26)23-9-7-14-12-16(24-3)17(25-4)13-15(14)19(23)18-6-5-11-27-18/h5-6,11-13,19H,7-10H2,1-4H3,(H,21,26)/p+1/t19-/m1/s1