6-(4-methylphenyl)-1-oxidanidyl-N-(4-piperazin-1-ylphenyl)-1,2,4-benzotriazin-1-ium-3-amine

Systemtic Name: 6-(4-methylphenyl)-1-oxidanidyl-N-(4-piperazin-1-ylphenyl)-1,2,4-benzotriazin-1-ium-3-amine Openeye Name: 1-oxido-N-(4-piperazin-1-ylphenyl)-6-(p-tolyl)-1,2,4-benzotriazin-1-ium-3-amine CAS Name: 6-(4-methylphenyl)-1-oxido-N-[4-(1-piperazinyl)phenyl]-1,2,4-benzotriazin-1-ium-3-amine IUPAC Name: 6-(4-methylphenyl)-1-oxido-N-(4-piperazin-1-ylphenyl)-1,2,4-benzotriazin-1-ium-3-amine Traditional Name: [1-oxido-6-(p-tolyl)-1,2,4-benzotriazin-1-ium-3-yl]-(4-piperazinophenyl)amine Formula: C24H24N6O MolecularWeight: 412.48696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC3=C(C=C2)[N+](=NC(=N3)NC4=CC=C(C=C4)N5CCNCC5)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC3=C(C=C2)[N+](=NC(=N3)NC4=CC=C(C=C4)N5CCNCC5)[O-]

InChI

InChI=1S/C24H24N6O/c1-17-2-4-18(5-3-17)19-6-11-23-22(16-19)27-24(28-30(23)31)26-20-7-9-21(10-8-20)29-14-12-25-13-15-29/h2-11,16,25H,12-15H2,1H3,(H,26,27,28)