1-[3-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-4-oxidanidyl-1-oxidanylidene-quinoxalin-1-ium-2-yl]ethanone

Systemtic Name: 1-[3-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-4-oxidanidyl-1-oxidanylidene-quinoxalin-1-ium-2-yl]ethanone Openeye Name: 1-[3-[[4-(o-tolyl)piperazin-1-yl]methyl]-4-oxido-1-oxo-quinoxalin-1-ium-2-yl]ethanone CAS Name: 1-[3-[[4-(2-methylphenyl)-1-piperazinyl]methyl]-4-oxido-1-oxo-2-quinoxalin-1-iumyl]ethanone IUPAC Name: 1-[3-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-4-oxido-1-oxoquinoxalin-1-ium-2-yl]ethanone Traditional Name: 1-[1-keto-3-[[4-(o-tolyl)piperazino]methyl]-4-oxido-quinoxalin-1-ium-2-yl]ethanone Formula: C22H24N4O3 MolecularWeight: 392.45096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)CC3=C([N+](=O)C4=CC=CC=C4N3[O-])C(=O)C

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)CC3=C([N+](=O)C4=CC=CC=C4N3[O-])C(=O)C

InChI

InChI=1S/C22H24N4O3/c1-16-7-3-4-8-18(16)24-13-11-23(12-14-24)15-21-22(17(2)27)26(29)20-10-6-5-9-19(20)25(21)28/h3-10H,11-15H2,1-2H3