2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-4-phenyl-5H-pyrrolo[1,2-a]quinoxalin-10-ium; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-4-phenyl-5H-pyrrolo[1,2-a]quinoxalin-10-ium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 2-hydroxy-2-oxo-acetate; 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-4-phenyl-5H-pyrrolo[1,2-a]quinoxalin-10-ium CAS Name: 2-hydroxy-2-oxoacetate; 2-[[4-(2-methoxyphenyl)-1-piperazinyl]methyl]-4-phenyl-5H-pyrrolo[1,2-a]quinoxalin-10-ium IUPAC Name: 2-hydroxy-2-oxoacetate; 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-4-phenyl-5H-pyrrolo[1,2-a]quinoxalin-10-ium Traditional Name: 2-[[4-(2-methoxyphenyl)piperazino]methyl]-4-phenyl-5H-pyrrolo[1,2-a]quinoxalin-10-ium binoxalate Formula: C31H30N4O5 MolecularWeight: 538.5937

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)CC3=CC4=C(NC5=CC=CC=C5[N+]4=C3)C6=CC=CC=C6.C(=O)(C(=O)[O-])O

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)CC3=CC4=C(NC5=CC=CC=C5[N+]4=C3)C6=CC=CC=C6.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C29H28N4O.C2H2O4/c1-34-28-14-8-7-13-26(28)32-17-15-31(16-18-32)20-22-19-27-29(23-9-3-2-4-10-23)30-24-11-5-6-12-25(24)33(27)21-22;3-1(4)2(5)6/h2-14,19,21H,15-18,20H2,1H3;(H,3,4)(H,5,6)