N-[5-(4-methylphenyl)-2-phenyl-pyrazol-3-yl]-2-(4-pyrrolidin-1-ylcarbonylpiperidin-1-ium-1-yl)ethanamide

Systemtic Name: N-[5-(4-methylphenyl)-2-phenyl-pyrazol-3-yl]-2-(4-pyrrolidin-1-ylcarbonylpiperidin-1-ium-1-yl)ethanamide Openeye Name: N-[2-phenyl-5-(p-tolyl)pyrazol-3-yl]-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-ium-1-yl]acetamide CAS Name: N-[5-(4-methylphenyl)-2-phenyl-3-pyrazolyl]-2-[4-[oxo(1-pyrrolidinyl)methyl]-1-piperidin-1-iumyl]acetamide IUPAC Name: N-[5-(4-methylphenyl)-2-phenylpyrazol-3-yl]-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-ium-1-yl]acetamide Traditional Name: N-[2-phenyl-5-(p-tolyl)pyrazol-3-yl]-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-ium-1-yl]acetamide Formula: C28H34N5O2+ MolecularWeight: 472.60186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=C2)NC(=O)C[NH+]3CCC(CC3)C(=O)N4CCCC4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=C2)NC(=O)C[NH+]3CCC(CC3)C(=O)N4CCCC4)C5=CC=CC=C5

InChI

InChI=1S/C28H33N5O2/c1-21-9-11-22(12-10-21)25-19-26(33(30-25)24-7-3-2-4-8-24)29-27(34)20-31-17-13-23(14-18-31)28(35)32-15-5-6-16-32/h2-4,7-12,19,23H,5-6,13-18,20H2,1H3,(H,29,34)/p+1