ethyl 1-[(5-fluoranyl-2-pyrazol-1-yl-phenyl)methyl]-4-[[(2R)-oxan-2-yl]methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(5-fluoranyl-2-pyrazol-1-yl-phenyl)methyl]-4-[[(2R)-oxan-2-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(5-fluoro-2-pyrazol-1-yl-phenyl)methyl]-4-[[(2R)-tetrahydropyran-2-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[5-fluoro-2-(1-pyrazolyl)phenyl]methyl]-4-[[(2R)-2-oxanyl]methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-4-[[(2R)-oxan-2-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-(5-fluoro-2-pyrazol-1-yl-benzyl)-4-[[(2R)-tetrahydropyran-2-yl]methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C24H33FN3O3+ MolecularWeight: 430.535523

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=C(C=CC(=C2)F)N3C=CC=N3)CC4CCCCO4

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=C(C=CC(=C2)F)N3C=CC=N3)C[C@H]4CCCCO4

InChI

InChI=1S/C24H32FN3O3/c1-2-30-23(29)24(17-21-6-3-4-15-31-21)9-13-27(14-10-24)18-19-16-20(25)7-8-22(19)28-12-5-11-26-28/h5,7-8,11-12,16,21H,2-4,6,9-10,13-15,17-18H2,1H3/p+1/t21-/m1/s1