methyl-[1-[(7-methyl-2-oxidanylidene-3,4-dihydro-1H-quinolin-6-yl)carbonyl]piperidin-4-yl]-phenethyl-azanium; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: methyl-[1-[(7-methyl-2-oxidanylidene-3,4-dihydro-1H-quinolin-6-yl)carbonyl]piperidin-4-yl]-phenethyl-azanium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 2-hydroxy-2-oxo-acetate; methyl-[1-(7-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)-4-piperidyl]-phenethyl-ammonium CAS Name: 2-hydroxy-2-oxoacetate; methyl-[1-[(7-methyl-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-oxomethyl]-4-piperidinyl]-phenethylammonium IUPAC Name: 2-hydroxy-2-oxoacetate; methyl-[1-(7-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)piperidin-4-yl]-phenethylazanium Traditional Name: [1-(2-keto-7-methyl-3,4-dihydro-1H-quinoline-6-carbonyl)-4-piperidyl]-methyl-phenethyl-ammonium binoxalate Formula: C27H33N3O6 MolecularWeight: 495.56742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(CCC(=O)N2)C=C1C(=O)N3CCC(CC3)[NH+](C)CCC4=CC=CC=C4.C(=O)(C(=O)[O-])O

Isomeric SMILES

CC1=CC2=C(CCC(=O)N2)C=C1C(=O)N3CCC(CC3)[NH+](C)CCC4=CC=CC=C4.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C25H31N3O2.C2H2O4/c1-18-16-23-20(8-9-24(29)26-23)17-22(18)25(30)28-14-11-21(12-15-28)27(2)13-10-19-6-4-3-5-7-19;3-1(4)2(5)6/h3-7,16-17,21H,8-15H2,1-2H3,(H,26,29);(H,3,4)(H,5,6)