2-[1-[[2-(4-fluorophenyl)phenyl]methoxy]piperidin-1-ium-1-yl]pentanoic acid

Systemtic Name: 2-[1-[[2-(4-fluorophenyl)phenyl]methoxy]piperidin-1-ium-1-yl]pentanoic acid Openeye Name: 2-[1-[[2-(4-fluorophenyl)phenyl]methoxy]piperidin-1-ium-1-yl]pentanoic acid CAS Name: 2-[1-[[2-(4-fluorophenyl)phenyl]methoxy]-1-piperidin-1-iumyl]pentanoic acid IUPAC Name: 2-[1-[[2-(4-fluorophenyl)phenyl]methoxy]piperidin-1-ium-1-yl]pentanoic acid Traditional Name: 2-[1-[2-(4-fluorophenyl)benzyl]oxypiperidin-1-ium-1-yl]valeric acid Formula: C23H29FNO3+ MolecularWeight: 386.479663

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)O)[N+]1(CCCCC1)OCC2=CC=CC=C2C3=CC=C(C=C3)F

Isomeric SMILES

CCCC(C(=O)O)[N+]1(CCCCC1)OCC2=CC=CC=C2C3=CC=C(C=C3)F

InChI

InChI=1S/C23H28FNO3/c1-2-8-22(23(26)27)25(15-6-3-7-16-25)28-17-19-9-4-5-10-21(19)18-11-13-20(24)14-12-18/h4-5,9-14,22H,2-3,6-8,15-17H2,1H3/p+1