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

Systemtic Name: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-[4-(o-tolylmethyl)piperazine-1,4-diium-1-yl]acetamide CAS Name: N-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-2-[4-[(2-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-[4-(2-methylbenzyl)piperazine-1,4-diium-1-yl]acetamide Formula: C25H33N5O+2 MolecularWeight: 419.56242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CC[NH+](CC2)CC(=O)NC3=C(N(N=C3C)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CC[NH+](CC2)CC(=O)NC3=C(N(N=C3C)C4=CC=CC=C4)C

InChI

InChI=1S/C25H31N5O/c1-19-9-7-8-10-22(19)17-28-13-15-29(16-14-28)18-24(31)26-25-20(2)27-30(21(25)3)23-11-5-4-6-12-23/h4-12H,13-18H2,1-3H3,(H,26,31)/p+2