methyl 1-[[5-(3-fluoranyl-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[[5-(3-fluoranyl-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[[5-(3-fluoro-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[5-(3-fluoro-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C18H23FN3O3+ MolecularWeight: 348.391923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(C=NN2)C[NH+]3CCC(CC3)C(=O)OC)F

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(C=NN2)C[NH+]3CCC(CC3)C(=O)OC)F

InChI

InChI=1S/C18H22FN3O3/c1-24-16-4-3-13(9-15(16)19)17-14(10-20-21-17)11-22-7-5-12(6-8-22)18(23)25-2/h3-4,9-10,12H,5-8,11H2,1-2H3,(H,20,21)/p+1