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

Systemtic Name: ethyl 4-[(3-fluorophenyl)methyl]-1-[(2R)-1-pyridin-3-ylpropan-2-yl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 4-[(3-fluorophenyl)methyl]-1-[(1R)-1-methyl-2-(3-pyridyl)ethyl]piperidin-1-ium-4-carboxylate CAS Name: 4-[(3-fluorophenyl)methyl]-1-[(2R)-1-(3-pyridinyl)propan-2-yl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-fluorophenyl)methyl]-1-[(2R)-1-pyridin-3-ylpropan-2-yl]piperidin-1-ium-4-carboxylate Traditional Name: 4-(3-fluorobenzyl)-1-[(1R)-1-methyl-2-(3-pyridyl)ethyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C23H30FN2O2+ MolecularWeight: 385.494903

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)C(C)CC2=CN=CC=C2)CC3=CC(=CC=C3)F

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)[C@H](C)CC2=CN=CC=C2)CC3=CC(=CC=C3)F

InChI

InChI=1S/C23H29FN2O2/c1-3-28-22(27)23(16-19-6-4-8-21(24)15-19)9-12-26(13-10-23)18(2)14-20-7-5-11-25-17-20/h4-8,11,15,17-18H,3,9-10,12-14,16H2,1-2H3/p+1/t18-/m1/s1