ethyl 1-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-4-[(3-fluorophenyl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-4-[(3-fluorophenyl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-4-[(3-fluorophenyl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(1-ethyl-3,5-dimethyl-4-pyrazolyl)methyl]-4-[(3-fluorophenyl)methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-[(3-fluorophenyl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-4-(3-fluorobenzyl)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C23H33FN3O2+ MolecularWeight: 402.525423

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C23H32FN3O2/c1-5-27-18(4)21(17(3)25-27)16-26-12-10-23(11-13-26,22(28)29-6-2)15-19-8-7-9-20(24)14-19/h7-9,14H,5-6,10-13,15-16H2,1-4H3/p+1