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

Systemtic Name: 6-(1-benzofuran-2-yl)-1-oxidanidyl-N-(4-piperazin-1-ylphenyl)-1,2,4-benzotriazin-1-ium-3-amine Openeye Name: 6-(benzofuran-2-yl)-1-oxido-N-(4-piperazin-1-ylphenyl)-1,2,4-benzotriazin-1-ium-3-amine CAS Name: 6-(2-benzofuranyl)-1-oxido-N-[4-(1-piperazinyl)phenyl]-1,2,4-benzotriazin-1-ium-3-amine IUPAC Name: 6-(1-benzofuran-2-yl)-1-oxido-N-(4-piperazin-1-ylphenyl)-1,2,4-benzotriazin-1-ium-3-amine Traditional Name: [6-(benzofuran-2-yl)-1-oxido-1,2,4-benzotriazin-1-ium-3-yl]-(4-piperazinophenyl)amine Formula: C25H22N6O2 MolecularWeight: 438.48118

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=CC=C(C=C2)NC3=NC4=C(C=CC(=C4)C5=CC6=CC=CC=C6O5)[N+](=N3)[O-]

Isomeric SMILES

C1CN(CCN1)C2=CC=C(C=C2)NC3=NC4=C(C=CC(=C4)C5=CC6=CC=CC=C6O5)[N+](=N3)[O-]

InChI

InChI=1S/C25H22N6O2/c32-31-22-10-5-18(24-16-17-3-1-2-4-23(17)33-24)15-21(22)28-25(29-31)27-19-6-8-20(9-7-19)30-13-11-26-12-14-30/h1-10,15-16,26H,11-14H2,(H,27,28,29)