1-(5-phenyl-3,4-dihydropyrazol-2-yl)-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanone

Systemtic Name: 1-(5-phenyl-3,4-dihydropyrazol-2-yl)-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanone Openeye Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone CAS Name: 1-(5-phenyl-3,4-dihydropyrazol-2-yl)-2-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]ethanone IUPAC Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone Traditional Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-1-(3-phenyl-2-pyrazolin-1-yl)ethanone Formula: C22H28N4O+2 MolecularWeight: 364.48392

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(N=C1C2=CC=CC=C2)C(=O)C[NH+]3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(N=C1C2=CC=CC=C2)C(=O)C[NH+]3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H26N4O/c27-22(26-12-11-21(23-26)20-9-5-2-6-10-20)18-25-15-13-24(14-16-25)17-19-7-3-1-4-8-19/h1-10H,11-18H2/p+2