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

Systemtic Name: 6-chloranyl-1-oxidanidyl-N-(4-piperazin-1-ylphenyl)-1,2,4-benzotriazin-1-ium-3-amine Openeye Name: 6-chloro-1-oxido-N-(4-piperazin-1-ylphenyl)-1,2,4-benzotriazin-1-ium-3-amine CAS Name: 6-chloro-1-oxido-N-[4-(1-piperazinyl)phenyl]-1,2,4-benzotriazin-1-ium-3-amine IUPAC Name: 6-chloro-1-oxido-N-(4-piperazin-1-ylphenyl)-1,2,4-benzotriazin-1-ium-3-amine Traditional Name: (6-chloro-1-oxido-1,2,4-benzotriazin-1-ium-3-yl)-(4-piperazinophenyl)amine Formula: C17H17ClN6O MolecularWeight: 356.80948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17ClN6O/c18-12-1-6-16-15(11-12)21-17(22-24(16)25)20-13-2-4-14(5-3-13)23-9-7-19-8-10-23/h1-6,11,19H,7-10H2,(H,20,21,22)