2-[1,2-bis[(4-fluorophenyl)-oxidanyl-methyl]piperidin-1-ium-1-yl]ethanoic acid

Systemtic Name: 2-[1,2-bis[(4-fluorophenyl)-oxidanyl-methyl]piperidin-1-ium-1-yl]ethanoic acid Openeye Name: 2-[1,2-bis[(4-fluorophenyl)-hydroxy-methyl]piperidin-1-ium-1-yl]acetic acid CAS Name: 2-[1,2-bis[(4-fluorophenyl)-hydroxymethyl]-1-piperidin-1-iumyl]acetic acid IUPAC Name: 2-[1,2-bis[(4-fluorophenyl)-hydroxymethyl]piperidin-1-ium-1-yl]acetic acid Traditional Name: 2-[1,2-bis[(4-fluorophenyl)-hydroxy-methyl]piperidin-1-ium-1-yl]acetic acid Formula: C21H24F2NO4+ MolecularWeight: 392.416366

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](C(C1)C(C2=CC=C(C=C2)F)O)(CC(=O)O)C(C3=CC=C(C=C3)F)O

Isomeric SMILES

C1CC[N+](C(C1)C(C2=CC=C(C=C2)F)O)(CC(=O)O)C(C3=CC=C(C=C3)F)O

InChI

InChI=1S/C21H23F2NO4/c22-16-8-4-14(5-9-16)20(27)18-3-1-2-12-24(18,13-19(25)26)21(28)15-6-10-17(23)11-7-15/h4-11,18,20-21,27-28H,1-3,12-13H2/p+1