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

Systemtic Name: 2-oxidanyl-2-oxidanylidene-ethanoate; 4-phenyl-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-5H-pyrrolo[1,2-a]quinoxalin-10-ium Openeye Name: 2-hydroxy-2-oxo-acetate; 4-phenyl-2-[[4-(2-pyridyl)piperazin-1-yl]methyl]-5H-pyrrolo[1,2-a]quinoxalin-10-ium CAS Name: 2-hydroxy-2-oxoacetate; 4-phenyl-2-[[4-(2-pyridinyl)-1-piperazinyl]methyl]-5H-pyrrolo[1,2-a]quinoxalin-10-ium IUPAC Name: 2-hydroxy-2-oxoacetate; 4-phenyl-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-5H-pyrrolo[1,2-a]quinoxalin-10-ium Traditional Name: 4-phenyl-2-[[4-(2-pyridyl)piperazino]methyl]-5H-pyrrolo[1,2-a]quinoxalin-10-ium binoxalate Formula: C29H27N5O4 MolecularWeight: 509.55578

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(NC4=CC=CC=C4[N+]3=C2)C5=CC=CC=C5)C6=CC=CC=N6.C(=O)(C(=O)[O-])O

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(NC4=CC=CC=C4[N+]3=C2)C5=CC=CC=C5)C6=CC=CC=N6.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C27H25N5.C2H2O4/c1-2-8-22(9-3-1)27-25-18-21(20-32(25)24-11-5-4-10-23(24)29-27)19-30-14-16-31(17-15-30)26-12-6-7-13-28-26;3-1(4)2(5)6/h1-13,18,20H,14-17,19H2;(H,3,4)(H,5,6)