ethyl 4-[(3-fluorophenyl)methyl]-1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 4-[(3-fluorophenyl)methyl]-1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 4-[(3-fluorophenyl)methyl]-1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-4-carboxylate CAS Name: 4-[(3-fluorophenyl)methyl]-1-(1H-pyrazol-5-ylmethyl)-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-fluorophenyl)methyl]-1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-4-carboxylate Traditional Name: 4-(3-fluorobenzyl)-1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C19H25FN3O2+ MolecularWeight: 346.419103

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=CC=NN2)CC3=CC(=CC=C3)F

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=CC=NN2)CC3=CC(=CC=C3)F

InChI

InChI=1S/C19H24FN3O2/c1-2-25-18(24)19(13-15-4-3-5-16(20)12-15)7-10-23(11-8-19)14-17-6-9-21-22-17/h3-6,9,12H,2,7-8,10-11,13-14H2,1H3,(H,21,22)/p+1