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

Systemtic Name: 2-[[(4R)-5,8-dimethoxy-4-oxidanyl-3,4-dihydro-1H-isoquinolin-2-yl]carbothioylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[(4R)-4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[(4R)-4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[(4R)-4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[(4R)-4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioyl]amino]ethyl-dimethyl-ammonium Formula: C16H26N3O3S+ MolecularWeight: 340.46094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O3S/c1-18(2)8-7-17-16(23)19-9-11-13(21-3)5-6-14(22-4)15(11)12(20)10-19/h5-6,12,20H,7-10H2,1-4H3,(H,17,23)/p+1/t12-/m0/s1