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

Systemtic Name: 3-[[2-(dimethylazaniumyl)ethyl-[(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]carbamothioyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[2-(dimethylammonio)ethyl-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]carbamothioyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[2-(dimethylammonio)ethyl-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[2-(dimethylazaniumyl)ethyl-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]carbamothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[[2-(dimethylammonio)ethyl-[(2-keto-8-methyl-1H-quinolin-3-yl)methyl]thiocarbamoyl]amino]propyl-dimethyl-ammonium Formula: C21H35N5OS+2 MolecularWeight: 405.6005

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33N5OS/c1-16-8-6-9-17-14-18(20(27)23-19(16)17)15-26(13-12-25(4)5)21(28)22-10-7-11-24(2)3/h6,8-9,14H,7,10-13,15H2,1-5H3,(H,22,28)(H,23,27)/p+2