2-oxidanyl-2-oxidanylidene-ethanoate; 4-phenyl-2-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-5H-pyrrolo[1,2-a]quinoxalin-10-ium

Systemtic Name: 2-oxidanyl-2-oxidanylidene-ethanoate; 4-phenyl-2-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-5H-pyrrolo[1,2-a]quinoxalin-10-ium Openeye Name: 2-hydroxy-2-oxo-acetate; 4-phenyl-2-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-5H-pyrrolo[1,2-a]quinoxalin-10-ium CAS Name: 2-hydroxy-2-oxoacetate; 4-phenyl-2-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-5H-pyrrolo[1,2-a]quinoxalin-10-ium IUPAC Name: 2-hydroxy-2-oxoacetate; 4-phenyl-2-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-5H-pyrrolo[1,2-a]quinoxalin-10-ium Traditional Name: 4-phenyl-2-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-5H-pyrrolo[1,2-a]quinoxalin-10-ium binoxalate Formula: C31H27N3O4 MolecularWeight: 505.56378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC=C1C2=CC=CC=C2)CC3=CC4=C(NC5=CC=CC=C5[N+]4=C3)C6=CC=CC=C6.C(=O)(C(=O)[O-])O

Isomeric SMILES

C1CN(CC=C1C2=CC=CC=C2)CC3=CC4=C(NC5=CC=CC=C5[N+]4=C3)C6=CC=CC=C6.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C29H25N3.C2H2O4/c1-3-9-23(10-4-1)24-15-17-31(18-16-24)20-22-19-28-29(25-11-5-2-6-12-25)30-26-13-7-8-14-27(26)32(28)21-22;3-1(4)2(5)6/h1-15,19,21H,16-18,20H2;(H,3,4)(H,5,6)