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

Systemtic Name: ethyl 1-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-4-[(3-fluorophenyl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-4-[(3-fluorophenyl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(1-ethyl-3-methyl-4-pyrazolyl)methyl]-4-[(3-fluorophenyl)methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-[(3-fluorophenyl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-4-(3-fluorobenzyl)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C22H31FN3O2+ MolecularWeight: 388.498843

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)C[NH+]2CCC(CC2)(CC3=CC(=CC=C3)F)C(=O)OCC

Isomeric SMILES

CCN1C=C(C(=N1)C)C[NH+]2CCC(CC2)(CC3=CC(=CC=C3)F)C(=O)OCC

InChI

InChI=1S/C22H30FN3O2/c1-4-26-16-19(17(3)24-26)15-25-11-9-22(10-12-25,21(27)28-5-2)14-18-7-6-8-20(23)13-18/h6-8,13,16H,4-5,9-12,14-15H2,1-3H3/p+1