2-[1-[2-(2-fluoranyl-4-methyl-phenoxy)ethyl]pyridin-1-ium-4-yl]ethanesulfonic acid

Systemtic Name: 2-[1-[2-(2-fluoranyl-4-methyl-phenoxy)ethyl]pyridin-1-ium-4-yl]ethanesulfonic acid Openeye Name: 2-[1-[2-(2-fluoro-4-methyl-phenoxy)ethyl]pyridin-1-ium-4-yl]ethanesulfonic acid CAS Name: 2-[1-[2-(2-fluoro-4-methylphenoxy)ethyl]-4-pyridin-1-iumyl]ethanesulfonic acid IUPAC Name: 2-[1-[2-(2-fluoro-4-methylphenoxy)ethyl]pyridin-1-ium-4-yl]ethanesulfonic acid Traditional Name: 2-[1-[2-(2-fluoro-4-methyl-phenoxy)ethyl]pyridin-1-ium-4-yl]ethanesulfonic acid Formula: C16H19FNO4S+ MolecularWeight: 340.389763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC[N+]2=CC=C(C=C2)CCS(=O)(=O)O)F

Isomeric SMILES

CC1=CC(=C(C=C1)OCC[N+]2=CC=C(C=C2)CCS(=O)(=O)O)F

InChI

InChI=1S/C16H18FNO4S/c1-13-2-3-16(15(17)12-13)22-10-9-18-7-4-14(5-8-18)6-11-23(19,20)21/h2-5,7-8,12H,6,9-11H2,1H3/p+1