dimethyl-[3-[[(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(pyridin-3-ylmethyl)carbamothioyl]amino]propyl]azanium

Systemtic Name: dimethyl-[3-[[(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(pyridin-3-ylmethyl)carbamothioyl]amino]propyl]azanium Openeye Name: dimethyl-[3-[[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl-(3-pyridylmethyl)carbamothioyl]amino]propyl]ammonium CAS Name: dimethyl-[3-[[[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl-(3-pyridinylmethyl)amino]-sulfanylidenemethyl]amino]propyl]ammonium IUPAC Name: dimethyl-[3-[[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl-(pyridin-3-ylmethyl)carbamothioyl]amino]propyl]azanium Traditional Name: 3-[[(2-keto-8-methyl-1H-quinolin-3-yl)methyl-(3-pyridylmethyl)thiocarbamoyl]amino]propyl-dimethyl-ammonium Formula: C23H30N5OS+ MolecularWeight: 424.5822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=O)C(=C2)CN(CC3=CN=CC=C3)C(=S)NCCC[NH+](C)C

Isomeric SMILES

CC1=CC=CC2=C1NC(=O)C(=C2)CN(CC3=CN=CC=C3)C(=S)NCCC[NH+](C)C

InChI

InChI=1S/C23H29N5OS/c1-17-7-4-9-19-13-20(22(29)26-21(17)19)16-28(15-18-8-5-10-24-14-18)23(30)25-11-6-12-27(2)3/h4-5,7-10,13-14H,6,11-12,15-16H2,1-3H3,(H,25,30)(H,26,29)/p+1