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

Systemtic Name: dimethyl-[4-[2-(1-phenylethylamino)ethanoylamino]quinolin-2-yl]azanium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: dimethyl-[4-[[2-(1-phenylethylamino)acetyl]amino]-2-quinolyl]ammonium; 2-hydroxy-2-oxo-acetate CAS Name: dimethyl-[4-[[1-oxo-2-(1-phenylethylamino)ethyl]amino]-2-quinolinyl]ammonium; 2-hydroxy-2-oxoacetate IUPAC Name: dimethyl-[4-[[2-(1-phenylethylamino)acetyl]amino]quinolin-2-yl]azanium; 2-hydroxy-2-oxoacetate Traditional Name: dimethyl-[4-[[2-(1-phenylethylamino)acetyl]amino]-2-quinolyl]ammonium binoxalate Formula: C23H26N4O5 MolecularWeight: 438.47634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O.C2H2O4/c1-15(16-9-5-4-6-10-16)22-14-21(26)24-19-13-20(25(2)3)23-18-12-8-7-11-17(18)19;3-1(4)2(5)6/h4-13,15,22H,14H2,1-3H3,(H,23,24,26);(H,3,4)(H,5,6)