ethyl 4-[(3-fluorophenyl)methyl]-1-[(3S)-3-oxidanylbutyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 4-[(3-fluorophenyl)methyl]-1-[(3S)-3-oxidanylbutyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 4-[(3-fluorophenyl)methyl]-1-[(3S)-3-hydroxybutyl]piperidin-1-ium-4-carboxylate CAS Name: 4-[(3-fluorophenyl)methyl]-1-[(3S)-3-hydroxybutyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-fluorophenyl)methyl]-1-[(3S)-3-hydroxybutyl]piperidin-1-ium-4-carboxylate Traditional Name: 4-(3-fluorobenzyl)-1-[(3S)-3-hydroxybutyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C19H29FNO3+ MolecularWeight: 338.436863

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28FNO3/c1-3-24-18(23)19(14-16-5-4-6-17(20)13-16)8-11-21(12-9-19)10-7-15(2)22/h4-6,13,15,22H,3,7-12,14H2,1-2H3/p+1/t15-/m0/s1