ethyl (3S)-1-[4-(4-fluoranylphenoxy)butyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[4-(4-fluoranylphenoxy)butyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[4-(4-fluorophenoxy)butyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[4-(4-fluorophenoxy)butyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[4-(4-fluorophenoxy)butyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[4-(4-fluorophenoxy)butyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C18H27FNO3+ MolecularWeight: 324.410283

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CCCCOC2=CC=C(C=C2)F

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CCCCOC2=CC=C(C=C2)F

InChI

InChI=1S/C18H26FNO3/c1-2-22-18(21)15-6-5-12-20(14-15)11-3-4-13-23-17-9-7-16(19)8-10-17/h7-10,15H,2-6,11-14H2,1H3/p+1/t15-/m0/s1