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

Systemtic Name: ethyl 1-[[3-(3-fluoranyl-4-methoxy-phenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[[3-(3-fluoro-4-methoxy-phenyl)-1-(o-tolyl)pyrazol-4-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)-4-pyrazolyl]methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[3-(3-fluoro-4-methoxy-phenyl)-1-(o-tolyl)pyrazol-4-yl]methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C26H31FN3O3+ MolecularWeight: 452.541043

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC2=CN(N=C2C3=CC(=C(C=C3)OC)F)C4=CC=CC=C4C

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC2=CN(N=C2C3=CC(=C(C=C3)OC)F)C4=CC=CC=C4C

InChI

InChI=1S/C26H30FN3O3/c1-4-33-26(31)19-11-13-29(14-12-19)16-21-17-30(23-8-6-5-7-18(23)2)28-25(21)20-9-10-24(32-3)22(27)15-20/h5-10,15,17,19H,4,11-14,16H2,1-3H3/p+1