ethyl 4-[(3-fluorophenyl)methyl]-1-(pyridin-3-ylmethyl)piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 4-[(3-fluorophenyl)methyl]-1-(pyridin-3-ylmethyl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 4-[(3-fluorophenyl)methyl]-1-(3-pyridylmethyl)piperidin-1-ium-4-carboxylate CAS Name: 4-[(3-fluorophenyl)methyl]-1-(3-pyridinylmethyl)-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-fluorophenyl)methyl]-1-(pyridin-3-ylmethyl)piperidin-1-ium-4-carboxylate Traditional Name: 4-(3-fluorobenzyl)-1-(3-pyridylmethyl)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C21H26FN2O2+ MolecularWeight: 357.441743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25FN2O2/c1-2-26-20(25)21(14-17-5-3-7-19(22)13-17)8-11-24(12-9-21)16-18-6-4-10-23-15-18/h3-7,10,13,15H,2,8-9,11-12,14,16H2,1H3/p+1