[2-[[2-(dimethylazaniumyl)quinolin-4-yl]amino]-2-oxidanylidene-ethyl]-dipentyl-azanium; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: [2-[[2-(dimethylazaniumyl)quinolin-4-yl]amino]-2-oxidanylidene-ethyl]-dipentyl-azanium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: [2-[[2-(dimethylammonio)-4-quinolyl]amino]-2-oxo-ethyl]-dipentyl-ammonium; 2-hydroxy-2-oxo-acetate CAS Name: [2-[[2-(dimethylammonio)-4-quinolinyl]amino]-2-oxoethyl]-dipentylammonium; 2-hydroxy-2-oxoacetate IUPAC Name: [2-[[2-(dimethylazaniumyl)quinolin-4-yl]amino]-2-oxoethyl]-dipentylazanium; 2-hydroxy-2-oxoacetate Traditional Name: diamyl-[2-[[2-(dimethylammonio)-4-quinolyl]amino]-2-keto-ethyl]ammonium dibinoxalate Formula: C27H40N4O9 MolecularWeight: 564.6279

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC[NH+](CCCCC)CC(=O)NC1=CC(=NC2=CC=CC=C21)[NH+](C)C.C(=O)(C(=O)[O-])O.C(=O)(C(=O)[O-])O

Isomeric SMILES

CCCCC[NH+](CCCCC)CC(=O)NC1=CC(=NC2=CC=CC=C21)[NH+](C)C.C(=O)(C(=O)[O-])O.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C23H36N4O.2C2H2O4/c1-5-7-11-15-27(16-12-8-6-2)18-23(28)25-21-17-22(26(3)4)24-20-14-10-9-13-19(20)21;2*3-1(4)2(5)6/h9-10,13-14,17H,5-8,11-12,15-16,18H2,1-4H3,(H,24,25,28);2*(H,3,4)(H,5,6)