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

Systemtic Name: 1-oxidanidyl-N-(4-piperazin-1-ylphenyl)-1,2,4-benzotriazin-1-ium-3-amine Openeye Name: 1-oxido-N-(4-piperazin-1-ylphenyl)-1,2,4-benzotriazin-1-ium-3-amine CAS Name: 1-oxido-N-[4-(1-piperazinyl)phenyl]-1,2,4-benzotriazin-1-ium-3-amine IUPAC Name: 1-oxido-N-(4-piperazin-1-ylphenyl)-1,2,4-benzotriazin-1-ium-3-amine Traditional Name: (1-oxido-1,2,4-benzotriazin-1-ium-3-yl)-(4-piperazinophenyl)amine Formula: C17H18N6O MolecularWeight: 322.36442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N6O/c24-23-16-4-2-1-3-15(16)20-17(21-23)19-13-5-7-14(8-6-13)22-11-9-18-10-12-22/h1-8,18H,9-12H2,(H,19,20,21)