1-[[3-(3-fluoranyl-4-methoxy-phenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[[3-(3-fluoranyl-4-methoxy-phenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[[3-(3-fluoro-4-methoxy-phenyl)-1-(o-tolyl)pyrazol-4-yl]methyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)-4-pyrazolyl]methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[[3-(3-fluoro-4-methoxy-phenyl)-1-(o-tolyl)pyrazol-4-yl]methyl]piperidin-1-ium-4-carboxamide Formula: C24H28FN4O2+ MolecularWeight: 423.503123

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C=C(C(=N2)C3=CC(=C(C=C3)OC)F)C[NH+]4CCC(CC4)C(=O)N

Isomeric SMILES

CC1=CC=CC=C1N2C=C(C(=N2)C3=CC(=C(C=C3)OC)F)C[NH+]4CCC(CC4)C(=O)N

InChI

InChI=1S/C24H27FN4O2/c1-16-5-3-4-6-21(16)29-15-19(14-28-11-9-17(10-12-28)24(26)30)23(27-29)18-7-8-22(31-2)20(25)13-18/h3-8,13,15,17H,9-12,14H2,1-2H3,(H2,26,30)/p+1