3-[[(6,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(3-oxidanylpropyl)carbamothioyl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[(6,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(3-oxidanylpropyl)carbamothioyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(3-hydroxypropyl)carbamothioyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(3-hydroxypropyl)amino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(3-hydroxypropyl)carbamothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[[3-hydroxypropyl-[(2-keto-6,7-dimethyl-1H-quinolin-3-yl)methyl]thiocarbamoyl]amino]propyl-dimethyl-ammonium Formula: C21H33N4O2S+ MolecularWeight: 405.57732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(CCCO)C(=S)NCCC[NH+](C)C)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(CCCO)C(=S)NCCC[NH+](C)C)C

InChI

InChI=1S/C21H32N4O2S/c1-15-11-17-13-18(20(27)23-19(17)12-16(15)2)14-25(9-6-10-26)21(28)22-7-5-8-24(3)4/h11-13,26H,5-10,14H2,1-4H3,(H,22,28)(H,23,27)/p+1