(4-nitrophenyl)-(4-piperazin-4-ium-1-ylphenyl)diazene perchlorate

Systemtic Name: (4-nitrophenyl)-(4-piperazin-4-ium-1-ylphenyl)diazene perchlorate Openeye Name: (4-nitrophenyl)-(4-piperazin-4-ium-1-ylphenyl)diazene perchlorate CAS Name: (4-nitrophenyl)-[4-(1-piperazin-4-iumyl)phenyl]diazene perchlorate IUPAC Name: (4-nitrophenyl)-(4-piperazin-4-ium-1-ylphenyl)diazene perchlorate Traditional Name: (4-nitrophenyl)-(4-piperazin-4-ium-1-ylphenyl)diazene perchlorate Formula: C16H18ClN5O6 MolecularWeight: 411.79702

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=CC=C(C=C2)N=NC3=CC=C(C=C3)[N+](=O)[O-].[O-]Cl(=O)(=O)=O

Isomeric SMILES

C1CN(CC[NH2+]1)C2=CC=C(C=C2)N=NC3=CC=C(C=C3)[N+](=O)[O-].[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C16H17N5O2.ClHO4/c22-21(23)16-7-3-14(4-8-16)19-18-13-1-5-15(6-2-13)20-11-9-17-10-12-20;2-1(3,4)5/h1-8,17H,9-12H2;(H,2,3,4,5)