N-(4-phenyldiazenylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(4-phenyldiazenylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(4-phenylazophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(4-phenyldiazenylphenyl)-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-phenyldiazenylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(4-phenylazophenyl)-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetamide Formula: C22H24N7O+ MolecularWeight: 402.47226

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)N=NC3=CC=CC=C3)C4=NC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)N=NC3=CC=CC=C3)C4=NC=CC=N4

InChI

InChI=1S/C22H23N7O/c30-21(17-28-13-15-29(16-14-28)22-23-11-4-12-24-22)25-18-7-9-20(10-8-18)27-26-19-5-2-1-3-6-19/h1-12H,13-17H2,(H,25,30)/p+1