3-[1-[3-(2-fluoranyl-4-methyl-phenoxy)propyl]pyridin-1-ium-4-yl]propanoic acid

Systemtic Name: 3-[1-[3-(2-fluoranyl-4-methyl-phenoxy)propyl]pyridin-1-ium-4-yl]propanoic acid Openeye Name: 3-[1-[3-(2-fluoro-4-methyl-phenoxy)propyl]pyridin-1-ium-4-yl]propanoic acid CAS Name: 3-[1-[3-(2-fluoro-4-methylphenoxy)propyl]-4-pyridin-1-iumyl]propanoic acid IUPAC Name: 3-[1-[3-(2-fluoro-4-methylphenoxy)propyl]pyridin-1-ium-4-yl]propanoic acid Traditional Name: 3-[1-[3-(2-fluoro-4-methyl-phenoxy)propyl]pyridin-1-ium-4-yl]propionic acid Formula: C18H21FNO3+ MolecularWeight: 318.362643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCC[N+]2=CC=C(C=C2)CCC(=O)O)F

Isomeric SMILES

CC1=CC(=C(C=C1)OCCC[N+]2=CC=C(C=C2)CCC(=O)O)F

InChI

InChI=1S/C18H20FNO3/c1-14-3-5-17(16(19)13-14)23-12-2-9-20-10-7-15(8-11-20)4-6-18(21)22/h3,5,7-8,10-11,13H,2,4,6,9,12H2,1H3/p+1