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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC=CC=C2)CC(=O)N3C(CC=N3)C4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC=CC=C2)CC(=O)N3[C@H](CC=N3)C4=CC=CC=C4

InChI

InChI=1S/C22H26N4O/c27-22(26-21(11-12-23-26)20-9-5-2-6-10-20)18-25-15-13-24(14-16-25)17-19-7-3-1-4-8-19/h1-10,12,21H,11,13-18H2/p+2/t21-/m1/s1