N-(5-oxidanylidene-1-phenyl-4H-pyrazol-3-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(5-oxidanylidene-1-phenyl-4H-pyrazol-3-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)-2-(4-phenyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(5-keto-1-phenyl-2-pyrazolin-3-yl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Formula: C21H24N5O2+ MolecularWeight: 378.44756

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=NN(C(=O)C2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=NN(C(=O)C2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H23N5O2/c27-20(16-24-11-13-25(14-12-24)17-7-3-1-4-8-17)22-19-15-21(28)26(23-19)18-9-5-2-6-10-18/h1-10H,11-16H2,(H,22,23,27)/p+1