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

Systemtic Name: 1-oxidanidyl-6-phenyl-N-(4-piperazin-1-ylphenyl)-1,2,4-benzotriazin-1-ium-3-amine Openeye Name: 1-oxido-6-phenyl-N-(4-piperazin-1-ylphenyl)-1,2,4-benzotriazin-1-ium-3-amine CAS Name: 1-oxido-6-phenyl-N-[4-(1-piperazinyl)phenyl]-1,2,4-benzotriazin-1-ium-3-amine IUPAC Name: 1-oxido-6-phenyl-N-(4-piperazin-1-ylphenyl)-1,2,4-benzotriazin-1-ium-3-amine Traditional Name: (1-oxido-6-phenyl-1,2,4-benzotriazin-1-ium-3-yl)-(4-piperazinophenyl)amine Formula: C23H22N6O MolecularWeight: 398.46038

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=CC=C(C=C2)NC3=NC4=C(C=CC(=C4)C5=CC=CC=C5)[N+](=N3)[O-]

Isomeric SMILES

C1CN(CCN1)C2=CC=C(C=C2)NC3=NC4=C(C=CC(=C4)C5=CC=CC=C5)[N+](=N3)[O-]

InChI

InChI=1S/C23H22N6O/c30-29-22-11-6-18(17-4-2-1-3-5-17)16-21(22)26-23(27-29)25-19-7-9-20(10-8-19)28-14-12-24-13-15-28/h1-11,16,24H,12-15H2,(H,25,26,27)