ethyl 4-[(3-fluorophenyl)methyl]-1-(oxan-4-yl)piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 4-[(3-fluorophenyl)methyl]-1-(oxan-4-yl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 4-[(3-fluorophenyl)methyl]-1-tetrahydropyran-4-yl-piperidin-1-ium-4-carboxylate CAS Name: 4-[(3-fluorophenyl)methyl]-1-(4-oxanyl)-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-fluorophenyl)methyl]-1-(oxan-4-yl)piperidin-1-ium-4-carboxylate Traditional Name: 4-(3-fluorobenzyl)-1-tetrahydropyran-4-yl-piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C20H29FNO3+ MolecularWeight: 350.447563

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)C2CCOCC2)CC3=CC(=CC=C3)F

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)C2CCOCC2)CC3=CC(=CC=C3)F

InChI

InChI=1S/C20H28FNO3/c1-2-25-19(23)20(15-16-4-3-5-17(21)14-16)8-10-22(11-9-20)18-6-12-24-13-7-18/h3-5,14,18H,2,6-13,15H2,1H3/p+1