(3,7-dimethyl-4-oxidanidyl-1-oxidanylidene-quinoxalin-1-ium-2-yl)-(4-phenylpiperazin-1-yl)methanone

Systemtic Name: (3,7-dimethyl-4-oxidanidyl-1-oxidanylidene-quinoxalin-1-ium-2-yl)-(4-phenylpiperazin-1-yl)methanone Openeye Name: (3,7-dimethyl-4-oxido-1-oxo-quinoxalin-1-ium-2-yl)-(4-phenylpiperazin-1-yl)methanone CAS Name: (3,7-dimethyl-4-oxido-1-oxo-2-quinoxalin-1-iumyl)-(4-phenyl-1-piperazinyl)methanone IUPAC Name: (3,7-dimethyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)-(4-phenylpiperazin-1-yl)methanone Traditional Name: (1-keto-3,7-dimethyl-4-oxido-quinoxalin-1-ium-2-yl)-(4-phenylpiperazino)methanone Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=C([N+]2=O)C(=O)N3CCN(CC3)C4=CC=CC=C4)C)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=C([N+]2=O)C(=O)N3CCN(CC3)C4=CC=CC=C4)C)[O-]

InChI

InChI=1S/C21H22N4O3/c1-15-8-9-18-19(14-15)25(28)20(16(2)24(18)27)21(26)23-12-10-22(11-13-23)17-6-4-3-5-7-17/h3-9,14H,10-13H2,1-2H3