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

Systemtic Name: 2-[1-[[2-(4-fluorophenyl)phenyl]methoxy]piperidin-1-ium-1-yl]butanoic acid Openeye Name: 2-[1-[[2-(4-fluorophenyl)phenyl]methoxy]piperidin-1-ium-1-yl]butanoic acid CAS Name: 2-[1-[[2-(4-fluorophenyl)phenyl]methoxy]-1-piperidin-1-iumyl]butanoic acid IUPAC Name: 2-[1-[[2-(4-fluorophenyl)phenyl]methoxy]piperidin-1-ium-1-yl]butanoic acid Traditional Name: 2-[1-[2-(4-fluorophenyl)benzyl]oxypiperidin-1-ium-1-yl]butyric acid Formula: C22H27FNO3+ MolecularWeight: 372.453083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26FNO3/c1-2-21(22(25)26)24(14-6-3-7-15-24)27-16-18-8-4-5-9-20(18)17-10-12-19(23)13-11-17/h4-5,8-13,21H,2-3,6-7,14-16H2,1H3/p+1