N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanamide Openeye Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-[5-methyl-2-(p-tolyl)pyrazol-3-yl]acetamide CAS Name: N-[5-methyl-2-(4-methylphenyl)-3-pyrazolyl]-2-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide Traditional Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-[5-methyl-2-(p-tolyl)pyrazol-3-yl]acetamide Formula: C24H31N5O+2 MolecularWeight: 405.53584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=N2)C)NC(=O)C[NH+]3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=N2)C)NC(=O)C[NH+]3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H29N5O/c1-19-8-10-22(11-9-19)29-23(16-20(2)26-29)25-24(30)18-28-14-12-27(13-15-28)17-21-6-4-3-5-7-21/h3-11,16H,12-15,17-18H2,1-2H3,(H,25,30)/p+2