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

Systemtic Name: (3-methyl-4-oxidanidyl-1-oxidanylidene-quinoxalin-1-ium-2-yl)-[4-(phenylmethyl)piperazin-1-yl]methanone Openeye Name: (4-benzylpiperazin-1-yl)-(3-methyl-4-oxido-1-oxo-quinoxalin-1-ium-2-yl)methanone CAS Name: (3-methyl-4-oxido-1-oxo-2-quinoxalin-1-iumyl)-[4-(phenylmethyl)-1-piperazinyl]methanone IUPAC Name: (4-benzylpiperazin-1-yl)-(3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)methanone Traditional Name: (4-benzylpiperazino)-(1-keto-3-methyl-4-oxido-quinoxalin-1-ium-2-yl)methanone Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([N+](=O)C2=CC=CC=C2N1[O-])C(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C([N+](=O)C2=CC=CC=C2N1[O-])C(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C21H22N4O3/c1-16-20(25(28)19-10-6-5-9-18(19)24(16)27)21(26)23-13-11-22(12-14-23)15-17-7-3-2-4-8-17/h2-10H,11-15H2,1H3