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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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