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

Systemtic Name: 3-[[2-(diethylazaniumyl)ethyl-[(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]carbamothioyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[2-(diethylammonio)ethyl-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]carbamothioyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[2-(diethylammonio)ethyl-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[2-(diethylazaniumyl)ethyl-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]carbamothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[[2-(diethylammonio)ethyl-[(2-keto-8-methyl-1H-quinolin-3-yl)methyl]thiocarbamoyl]amino]propyl-dimethyl-ammonium Formula: C23H39N5OS+2 MolecularWeight: 433.65366

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN(CC1=CC2=C(C(=CC=C2)C)NC1=O)C(=S)NCCC[NH+](C)C

Isomeric SMILES

CC[NH+](CC)CCN(CC1=CC2=C(C(=CC=C2)C)NC1=O)C(=S)NCCC[NH+](C)C

InChI

InChI=1S/C23H37N5OS/c1-6-27(7-2)14-15-28(23(30)24-12-9-13-26(4)5)17-20-16-19-11-8-10-18(3)21(19)25-22(20)29/h8,10-11,16H,6-7,9,12-15,17H2,1-5H3,(H,24,30)(H,25,29)/p+2