dimethyl-[4-[2-(1-phenylpropan-2-ylamino)ethanoylamino]quinolin-2-yl]azanium; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: dimethyl-[4-[2-(1-phenylpropan-2-ylamino)ethanoylamino]quinolin-2-yl]azanium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: dimethyl-[4-[[2-[(1-methyl-2-phenyl-ethyl)amino]acetyl]amino]-2-quinolyl]ammonium; 2-hydroxy-2-oxo-acetate CAS Name: dimethyl-[4-[[1-oxo-2-(1-phenylpropan-2-ylamino)ethyl]amino]-2-quinolinyl]ammonium; 2-hydroxy-2-oxoacetate IUPAC Name: dimethyl-[4-[[2-(1-phenylpropan-2-ylamino)acetyl]amino]quinolin-2-yl]azanium; 2-hydroxy-2-oxoacetate Traditional Name: dimethyl-[4-[[2-[(1-methyl-2-phenyl-ethyl)amino]acetyl]amino]-2-quinolyl]ammonium binoxalate Formula: C24H28N4O5 MolecularWeight: 452.50292

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)NCC(=O)NC2=CC(=NC3=CC=CC=C32)[NH+](C)C.C(=O)(C(=O)[O-])O

Isomeric SMILES

CC(CC1=CC=CC=C1)NCC(=O)NC2=CC(=NC3=CC=CC=C32)[NH+](C)C.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C22H26N4O.C2H2O4/c1-16(13-17-9-5-4-6-10-17)23-15-22(27)25-20-14-21(26(2)3)24-19-12-8-7-11-18(19)20;3-1(4)2(5)6/h4-12,14,16,23H,13,15H2,1-3H3,(H,24,25,27);(H,3,4)(H,5,6)