3-[[(4R)-5,8-dimethoxy-4-oxidanyl-3,4-dihydro-1H-isoquinolin-2-yl]carbothioylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[(4R)-5,8-dimethoxy-4-oxidanyl-3,4-dihydro-1H-isoquinolin-2-yl]carbothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[[(4R)-4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[(4R)-4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[(4R)-4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[[(4R)-4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioyl]amino]propyl-dimethyl-ammonium Formula: C17H28N3O3S+ MolecularWeight: 354.48752

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=S)N1CC(C2=C(C=CC(=C2C1)OC)OC)O

Isomeric SMILES

C[NH+](C)CCCNC(=S)N1C[C@@H](C2=C(C=CC(=C2C1)OC)OC)O

InChI

InChI=1S/C17H27N3O3S/c1-19(2)9-5-8-18-17(24)20-10-12-14(22-3)6-7-15(23-4)16(12)13(21)11-20/h6-7,13,21H,5,8-11H2,1-4H3,(H,18,24)/p+1/t13-/m0/s1