ethyl 1-[(3-fluorophenyl)methyl]-4-(2-phenoxyethyl)piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(3-fluorophenyl)methyl]-4-(2-phenoxyethyl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(3-fluorophenyl)methyl]-4-(2-phenoxyethyl)piperidin-1-ium-4-carboxylate CAS Name: 1-[(3-fluorophenyl)methyl]-4-(2-phenoxyethyl)-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(3-fluorophenyl)methyl]-4-(2-phenoxyethyl)piperidin-1-ium-4-carboxylate Traditional Name: 1-(3-fluorobenzyl)-4-(2-phenoxyethyl)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C23H29FNO3+ MolecularWeight: 386.479663

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=CC(=CC=C2)F)CCOC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=CC(=CC=C2)F)CCOC3=CC=CC=C3

InChI

InChI=1S/C23H28FNO3/c1-2-27-22(26)23(13-16-28-21-9-4-3-5-10-21)11-14-25(15-12-23)18-19-7-6-8-20(24)17-19/h3-10,17H,2,11-16,18H2,1H3/p+1