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

Systemtic Name: 2-oxidanyl-2-oxidanylidene-ethanoate; 4-phenyl-2-[(4-phenylpiperazin-1-yl)methyl]-5H-pyrrolo[1,2-a]quinoxalin-10-ium Openeye Name: 2-hydroxy-2-oxo-acetate; 4-phenyl-2-[(4-phenylpiperazin-1-yl)methyl]-5H-pyrrolo[1,2-a]quinoxalin-10-ium CAS Name: 2-hydroxy-2-oxoacetate; 4-phenyl-2-[(4-phenyl-1-piperazinyl)methyl]-5H-pyrrolo[1,2-a]quinoxalin-10-ium IUPAC Name: 2-hydroxy-2-oxoacetate; 4-phenyl-2-[(4-phenylpiperazin-1-yl)methyl]-5H-pyrrolo[1,2-a]quinoxalin-10-ium Traditional Name: 4-phenyl-2-[(4-phenylpiperazino)methyl]-5H-pyrrolo[1,2-a]quinoxalin-10-ium binoxalate Formula: C30H28N4O4 MolecularWeight: 508.56772

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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=C6.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=C6.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C28H26N4.C2H2O4/c1-3-9-23(10-4-1)28-27-19-22(21-32(27)26-14-8-7-13-25(26)29-28)20-30-15-17-31(18-16-30)24-11-5-2-6-12-24;3-1(4)2(5)6/h1-14,19,21H,15-18,20H2;(H,3,4)(H,5,6)