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

Systemtic Name: 3-[[(1R)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]carbothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[[(1R)-6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinoline-2-carbothioyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[(1R)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[(1R)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinoline-2-carbothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[[(1R)-6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinoline-2-carbothioyl]amino]propyl-dimethyl-ammonium Formula: C21H30N3O2S2+ MolecularWeight: 420.6118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O2S2/c1-23(2)10-6-9-22-21(27)24-11-8-15-13-17(25-3)18(26-4)14-16(15)20(24)19-7-5-12-28-19/h5,7,12-14,20H,6,8-11H2,1-4H3,(H,22,27)/p+1/t20-/m1/s1