N-[5-(2,5-dimethylphenyl)-2-phenyl-pyrazol-3-yl]-2-(4-methylpiperazine-1,4-diium-1-yl)ethanamide

Systemtic Name: N-[5-(2,5-dimethylphenyl)-2-phenyl-pyrazol-3-yl]-2-(4-methylpiperazine-1,4-diium-1-yl)ethanamide Openeye Name: N-[5-(2,5-dimethylphenyl)-2-phenyl-pyrazol-3-yl]-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide CAS Name: N-[5-(2,5-dimethylphenyl)-2-phenyl-3-pyrazolyl]-2-(4-methyl-1-piperazine-1,4-diiumyl)acetamide IUPAC Name: N-[5-(2,5-dimethylphenyl)-2-phenylpyrazol-3-yl]-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide Traditional Name: N-[5-(2,5-dimethylphenyl)-2-phenyl-pyrazol-3-yl]-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide Formula: C24H31N5O+2 MolecularWeight: 405.53584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2=NN(C(=C2)NC(=O)C[NH+]3CC[NH+](CC3)C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=NN(C(=C2)NC(=O)C[NH+]3CC[NH+](CC3)C)C4=CC=CC=C4

InChI

InChI=1S/C24H29N5O/c1-18-9-10-19(2)21(15-18)22-16-23(29(26-22)20-7-5-4-6-8-20)25-24(30)17-28-13-11-27(3)12-14-28/h4-10,15-16H,11-14,17H2,1-3H3,(H,25,30)/p+2