3-[3-(dimethylazaniumyl)propylcarbamothioyl-[(6-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[3-(dimethylazaniumyl)propylcarbamothioyl-[(6-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[3-(dimethylammonio)propylcarbamothioyl-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[3-(dimethylammonio)propylamino]-sulfanylidenemethyl]-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]propyl-dimethylammonium IUPAC Name: 3-[3-(dimethylazaniumyl)propylcarbamothioyl-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]propyl-dimethylazanium Traditional Name: 3-[[3-(dimethylammonio)propyl-[(2-keto-6-methyl-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=CC2=C(C=C1)NC(=O)C(=C2)CN(CCC[NH+](C)C)C(=S)NCCC[NH+](C)C

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CCC[NH+](C)C)C(=S)NCCC[NH+](C)C

InChI

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