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

Systemtic Name: 3-[[(1S)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]carbothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[[(1S)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carbothioyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[(1S)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[(1S)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carbothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[[(1S)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carbothioyl]amino]propyl-dimethyl-ammonium Formula: C23H32N3O2S+ MolecularWeight: 414.58408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=S)N1CCC2=CC(=C(C=C2C1C3=CC=CC=C3)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O2S/c1-25(2)13-8-12-24-23(29)26-14-11-18-15-20(27-3)21(28-4)16-19(18)22(26)17-9-6-5-7-10-17/h5-7,9-10,15-16,22H,8,11-14H2,1-4H3,(H,24,29)/p+1/t22-/m0/s1