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

Systemtic Name: methyl 1-[[3-(2-fluoranyl-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[[3-(2-fluoro-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[3-(2-fluoro-4-methoxyphenyl)-1-phenyl-4-pyrazolyl]methyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[3-(2-fluoro-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]methyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C24H27FN3O3+ MolecularWeight: 424.487883

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=NN(C=C2C[NH+]3CCC(CC3)C(=O)OC)C4=CC=CC=C4)F

Isomeric SMILES

COC1=CC(=C(C=C1)C2=NN(C=C2C[NH+]3CCC(CC3)C(=O)OC)C4=CC=CC=C4)F

InChI

InChI=1S/C24H26FN3O3/c1-30-20-8-9-21(22(25)14-20)23-18(16-28(26-23)19-6-4-3-5-7-19)15-27-12-10-17(11-13-27)24(29)31-2/h3-9,14,16-17H,10-13,15H2,1-2H3/p+1