ethyl (3R)-3-[(2-fluorophenyl)methyl]-1-[(5-methyl-1-propyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3R)-3-[(2-fluorophenyl)methyl]-1-[(5-methyl-1-propyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3R)-3-[(2-fluorophenyl)methyl]-1-[(5-methyl-1-propyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-carboxylate CAS Name: (3R)-3-[(2-fluorophenyl)methyl]-1-[(5-methyl-1-propyl-4-pyrazolyl)methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-3-[(2-fluorophenyl)methyl]-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3R)-3-(2-fluorobenzyl)-1-[(5-methyl-1-propyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C23H33FN3O2+ MolecularWeight: 402.525423

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C=N1)C[NH+]2CCCC(C2)(CC3=CC=CC=C3F)C(=O)OCC)C

Isomeric SMILES

CCCN1C(=C(C=N1)C[NH+]2CCC[C@](C2)(CC3=CC=CC=C3F)C(=O)OCC)C

InChI

InChI=1S/C23H32FN3O2/c1-4-12-27-18(3)20(15-25-27)16-26-13-8-11-23(17-26,22(28)29-5-2)14-19-9-6-7-10-21(19)24/h6-7,9-10,15H,4-5,8,11-14,16-17H2,1-3H3/p+1/t23-/m1/s1