3-[[3-(diethylazaniumyl)propyl-[(5,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]carbamothioyl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[3-(diethylazaniumyl)propyl-[(5,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]carbamothioyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[3-(diethylammonio)propyl-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]carbamothioyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[3-(diethylammonio)propyl-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]amino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[3-(diethylazaniumyl)propyl-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]carbamothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[[3-(diethylammonio)propyl-[(2-keto-5,7-dimethyl-1H-quinolin-3-yl)methyl]thiocarbamoyl]amino]propyl-dimethyl-ammonium Formula: C25H43N5OS+2 MolecularWeight: 461.70682

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCN(CC1=CC2=C(C=C(C=C2NC1=O)C)C)C(=S)NCCC[NH+](C)C

Isomeric SMILES

CC[NH+](CC)CCCN(CC1=CC2=C(C=C(C=C2NC1=O)C)C)C(=S)NCCC[NH+](C)C

InChI

InChI=1S/C25H41N5OS/c1-7-29(8-2)13-10-14-30(25(32)26-11-9-12-28(5)6)18-21-17-22-20(4)15-19(3)16-23(22)27-24(21)31/h15-17H,7-14,18H2,1-6H3,(H,26,32)(H,27,31)/p+2