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

Systemtic Name: N-[5-(4-tert-butylphenyl)-2-phenyl-pyrazol-3-yl]-2-(4-methylpiperazine-1,4-diium-1-yl)ethanamide Openeye Name: N-[5-(4-tert-butylphenyl)-2-phenyl-pyrazol-3-yl]-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide CAS Name: N-[5-(4-tert-butylphenyl)-2-phenyl-3-pyrazolyl]-2-(4-methyl-1-piperazine-1,4-diiumyl)acetamide IUPAC Name: N-[5-(4-tert-butylphenyl)-2-phenylpyrazol-3-yl]-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide Traditional Name: N-[5-(4-tert-butylphenyl)-2-phenyl-pyrazol-3-yl]-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide Formula: C26H35N5O+2 MolecularWeight: 433.589

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H33N5O/c1-26(2,3)21-12-10-20(11-13-21)23-18-24(31(28-23)22-8-6-5-7-9-22)27-25(32)19-30-16-14-29(4)15-17-30/h5-13,18H,14-17,19H2,1-4H3,(H,27,32)/p+2