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

Systemtic Name: 1-oxidanidyl-N-(4-piperazin-1-ylphenyl)-6-pyridin-2-yl-1,2,4-benzotriazin-1-ium-3-amine Openeye Name: 1-oxido-N-(4-piperazin-1-ylphenyl)-6-(2-pyridyl)-1,2,4-benzotriazin-1-ium-3-amine CAS Name: 1-oxido-N-[4-(1-piperazinyl)phenyl]-6-(2-pyridinyl)-1,2,4-benzotriazin-1-ium-3-amine IUPAC Name: 1-oxido-N-(4-piperazin-1-ylphenyl)-6-pyridin-2-yl-1,2,4-benzotriazin-1-ium-3-amine Traditional Name: [1-oxido-6-(2-pyridyl)-1,2,4-benzotriazin-1-ium-3-yl]-(4-piperazinophenyl)amine Formula: C22H21N7O MolecularWeight: 399.44844

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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=N5)[N+](=N3)[O-]

Isomeric SMILES

C1CN(CCN1)C2=CC=C(C=C2)NC3=NC4=C(C=CC(=C4)C5=CC=CC=N5)[N+](=N3)[O-]

InChI

InChI=1S/C22H21N7O/c30-29-21-9-4-16(19-3-1-2-10-24-19)15-20(21)26-22(27-29)25-17-5-7-18(8-6-17)28-13-11-23-12-14-28/h1-10,15,23H,11-14H2,(H,25,26,27)