methyl 1-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[[3-(3-fluorophenyl)-1-(m-tolyl)pyrazol-4-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[3-(3-fluorophenyl)-1-(3-methylphenyl)-4-pyrazolyl]methyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[3-(3-fluorophenyl)-1-(m-tolyl)pyrazol-4-yl]methyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C24H27FN3O2+ MolecularWeight: 408.488483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C=C(C(=N2)C3=CC(=CC=C3)F)C[NH+]4CCC(CC4)C(=O)OC

Isomeric SMILES

CC1=CC(=CC=C1)N2C=C(C(=N2)C3=CC(=CC=C3)F)C[NH+]4CCC(CC4)C(=O)OC

InChI

InChI=1S/C24H26FN3O2/c1-17-5-3-8-22(13-17)28-16-20(23(26-28)19-6-4-7-21(25)14-19)15-27-11-9-18(10-12-27)24(29)30-2/h3-8,13-14,16,18H,9-12,15H2,1-2H3/p+1