[4-(phenylmethyl)piperazin-1-yl]-(3,6,7-trimethyl-4-oxidanidyl-1-oxidanylidene-quinoxalin-1-ium-2-yl)methanone

Systemtic Name: [4-(phenylmethyl)piperazin-1-yl]-(3,6,7-trimethyl-4-oxidanidyl-1-oxidanylidene-quinoxalin-1-ium-2-yl)methanone Openeye Name: (4-benzylpiperazin-1-yl)-(3,6,7-trimethyl-4-oxido-1-oxo-quinoxalin-1-ium-2-yl)methanone CAS Name: [4-(phenylmethyl)-1-piperazinyl]-(3,6,7-trimethyl-4-oxido-1-oxo-2-quinoxalin-1-iumyl)methanone IUPAC Name: (4-benzylpiperazin-1-yl)-(3,6,7-trimethyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)methanone Traditional Name: (4-benzylpiperazino)-(1-keto-3,6,7-trimethyl-4-oxido-quinoxalin-1-ium-2-yl)methanone Formula: C23H26N4O3 MolecularWeight: 406.47754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)[N+](=O)C(=C(N2[O-])C)C(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1C)[N+](=O)C(=C(N2[O-])C)C(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H26N4O3/c1-16-13-20-21(14-17(16)2)27(30)22(18(3)26(20)29)23(28)25-11-9-24(10-12-25)15-19-7-5-4-6-8-19/h4-8,13-14H,9-12,15H2,1-3H3