N-(4-cyano-2-phenyl-pyrazol-3-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethanamide

Systemtic Name: N-(4-cyano-2-phenyl-pyrazol-3-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethanamide Openeye Name: N-(4-cyano-2-phenyl-pyrazol-3-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide CAS Name: N-(4-cyano-2-phenyl-3-pyrazolyl)-2-(4-methyl-1-piperazine-1,4-diiumyl)acetamide IUPAC Name: N-(4-cyano-2-phenylpyrazol-3-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide Traditional Name: N-(4-cyano-2-phenyl-pyrazol-3-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide Formula: C17H22N6O+2 MolecularWeight: 326.39618

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CC(=O)NC2=C(C=NN2C3=CC=CC=C3)C#N

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CC(=O)NC2=C(C=NN2C3=CC=CC=C3)C#N

InChI

InChI=1S/C17H20N6O/c1-21-7-9-22(10-8-21)13-16(24)20-17-14(11-18)12-19-23(17)15-5-3-2-4-6-15/h2-6,12H,7-10,13H2,1H3,(H,20,24)/p+2