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

Systemtic Name: 3-[[2-(dimethylazaniumyl)ethyl-[(6-ethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]carbamothioyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[2-(dimethylammonio)ethyl-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]carbamothioyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[2-(dimethylammonio)ethyl-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]amino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[2-(dimethylazaniumyl)ethyl-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]carbamothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[[2-(dimethylammonio)ethyl-[(6-ethoxy-2-keto-1H-quinolin-3-yl)methyl]thiocarbamoyl]amino]propyl-dimethyl-ammonium Formula: C22H37N5O2S+2 MolecularWeight: 435.62648

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC[NH+](C)C)C(=S)NCCC[NH+](C)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC[NH+](C)C)C(=S)NCCC[NH+](C)C

InChI

InChI=1S/C22H35N5O2S/c1-6-29-19-8-9-20-17(15-19)14-18(21(28)24-20)16-27(13-12-26(4)5)22(30)23-10-7-11-25(2)3/h8-9,14-15H,6-7,10-13,16H2,1-5H3,(H,23,30)(H,24,28)/p+2