dimethyl-[3-[[(7-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(pyridin-3-ylmethyl)carbamothioyl]amino]propyl]azanium

Systemtic Name: dimethyl-[3-[[(7-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(pyridin-3-ylmethyl)carbamothioyl]amino]propyl]azanium Openeye Name: dimethyl-[3-[[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl-(3-pyridylmethyl)carbamothioyl]amino]propyl]ammonium CAS Name: dimethyl-[3-[[[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl-(3-pyridinylmethyl)amino]-sulfanylidenemethyl]amino]propyl]ammonium IUPAC Name: dimethyl-[3-[[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl-(pyridin-3-ylmethyl)carbamothioyl]amino]propyl]azanium Traditional Name: 3-[[(2-keto-7-methyl-1H-quinolin-3-yl)methyl-(3-pyridylmethyl)thiocarbamoyl]amino]propyl-dimethyl-ammonium Formula: C23H30N5OS+ MolecularWeight: 424.5822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C=C(C(=O)N2)CN(CC3=CN=CC=C3)C(=S)NCCC[NH+](C)C

Isomeric SMILES

CC1=CC2=C(C=C1)C=C(C(=O)N2)CN(CC3=CN=CC=C3)C(=S)NCCC[NH+](C)C

InChI

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