4-[2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethanoyl]-1,3-dihydroquinoxalin-2-one

Systemtic Name: 4-[2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethanoyl]-1,3-dihydroquinoxalin-2-one Openeye Name: 4-[2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one CAS Name: 4-[2-[4-(4-nitrophenyl)-1-piperazin-1-iumyl]-1-oxoethyl]-1,3-dihydroquinoxalin-2-one IUPAC Name: 4-[2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one Traditional Name: 4-[2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one Formula: C20H22N5O4+ MolecularWeight: 396.41978

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N2CC(=O)NC3=CC=CC=C32)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N2CC(=O)NC3=CC=CC=C32)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O4/c26-19-13-24(18-4-2-1-3-17(18)21-19)20(27)14-22-9-11-23(12-10-22)15-5-7-16(8-6-15)25(28)29/h1-8H,9-14H2,(H,21,26)/p+1