ethyl (3R)-1-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-3-[(2-fluorophenyl)methyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3R)-1-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-3-[(2-fluorophenyl)methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3R)-1-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-3-[(2-fluorophenyl)methyl]piperidin-1-ium-3-carboxylate CAS Name: (3R)-1-[(1-ethyl-3-methyl-4-pyrazolyl)methyl]-3-[(2-fluorophenyl)methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-[(2-fluorophenyl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3R)-1-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-3-(2-fluorobenzyl)piperidin-1-ium-3-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+]2CCCC(C2)(CC3=CC=CC=C3F)C(=O)OCC

Isomeric SMILES

CCN1C=C(C(=N1)C)C[NH+]2CCC[C@](C2)(CC3=CC=CC=C3F)C(=O)OCC

InChI

InChI=1S/C22H30FN3O2/c1-4-26-15-19(17(3)24-26)14-25-12-8-11-22(16-25,21(27)28-5-2)13-18-9-6-7-10-20(18)23/h6-7,9-10,15H,4-5,8,11-14,16H2,1-3H3/p+1/t22-/m1/s1