1-[6,7-dimethyl-3-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-4-oxidanidyl-1-oxidanylidene-quinoxalin-1-ium-2-yl]ethanone

Systemtic Name: 1-[6,7-dimethyl-3-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-4-oxidanidyl-1-oxidanylidene-quinoxalin-1-ium-2-yl]ethanone Openeye Name: 1-[6,7-dimethyl-3-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-4-oxido-1-oxo-quinoxalin-1-ium-2-yl]ethanone CAS Name: 1-[6,7-dimethyl-3-[[4-(4-nitrophenyl)-1-piperazinyl]methyl]-4-oxido-1-oxo-2-quinoxalin-1-iumyl]ethanone IUPAC Name: 1-[6,7-dimethyl-3-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-4-oxido-1-oxoquinoxalin-1-ium-2-yl]ethanone Traditional Name: 1-[1-keto-6,7-dimethyl-3-[[4-(4-nitrophenyl)piperazino]methyl]-4-oxido-quinoxalin-1-ium-2-yl]ethanone Formula: C23H25N5O5 MolecularWeight: 451.4751

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)[N+](=O)C(=C(N2[O-])CN3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)C

Isomeric SMILES

CC1=CC2=C(C=C1C)[N+](=O)C(=C(N2[O-])CN3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)C

InChI

InChI=1S/C23H25N5O5/c1-15-12-20-21(13-16(15)2)27(31)23(17(3)29)22(26(20)30)14-24-8-10-25(11-9-24)18-4-6-19(7-5-18)28(32)33/h4-7,12-13H,8-11,14H2,1-3H3