3-[[2-(dimethylazaniumyl)ethyl-[(7,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]carbamothioyl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[2-(dimethylazaniumyl)ethyl-[(7,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]carbamothioyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[2-(dimethylammonio)ethyl-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]carbamothioyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[2-(dimethylammonio)ethyl-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]amino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[2-(dimethylazaniumyl)ethyl-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]carbamothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[[2-(dimethylammonio)ethyl-[(2-keto-7,8-dimethyl-1H-quinolin-3-yl)methyl]thiocarbamoyl]amino]propyl-dimethyl-ammonium Formula: C22H37N5OS+2 MolecularWeight: 419.62708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C=C(C(=O)N2)CN(CC[NH+](C)C)C(=S)NCCC[NH+](C)C)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C=C(C(=O)N2)CN(CC[NH+](C)C)C(=S)NCCC[NH+](C)C)C

InChI

InChI=1S/C22H35N5OS/c1-16-8-9-18-14-19(21(28)24-20(18)17(16)2)15-27(13-12-26(5)6)22(29)23-10-7-11-25(3)4/h8-9,14H,7,10-13,15H2,1-6H3,(H,23,29)(H,24,28)/p+2