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

Systemtic Name: 2-[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone Openeye Name: 2-[4-(m-tolylmethyl)piperazine-1,4-diium-1-yl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone CAS Name: 2-[4-[(3-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone IUPAC Name: 2-[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone Traditional Name: 2-[4-(3-methylbenzyl)piperazine-1,4-diium-1-yl]-1-(3-phenyl-2-pyrazolin-1-yl)ethanone Formula: C23H30N4O+2 MolecularWeight: 378.5105

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CC[NH+](CC2)CC(=O)N3CCC(=N3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CC[NH+](CC2)CC(=O)N3CCC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C23H28N4O/c1-19-6-5-7-20(16-19)17-25-12-14-26(15-13-25)18-23(28)27-11-10-22(24-27)21-8-3-2-4-9-21/h2-9,16H,10-15,17-18H2,1H3/p+2