methyl (E)-3-[6-(chloromethyl)-3-[2-(4-fluorophenyl)ethoxy]-1-oxidanidyl-pyridin-1-ium-2-yl]prop-2-enoate

Systemtic Name: methyl (E)-3-[6-(chloromethyl)-3-[2-(4-fluorophenyl)ethoxy]-1-oxidanidyl-pyridin-1-ium-2-yl]prop-2-enoate Openeye Name: methyl (E)-3-[6-(chloromethyl)-3-[2-(4-fluorophenyl)ethoxy]-1-oxido-pyridin-1-ium-2-yl]prop-2-enoate CAS Name: (E)-3-[6-(chloromethyl)-3-[2-(4-fluorophenyl)ethoxy]-1-oxido-2-pyridin-1-iumyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[6-(chloromethyl)-3-[2-(4-fluorophenyl)ethoxy]-1-oxidopyridin-1-ium-2-yl]prop-2-enoate Traditional Name: (E)-3-[6-(chloromethyl)-3-[2-(4-fluorophenyl)ethoxy]-1-oxido-pyridin-1-ium-2-yl]acrylic acid methyl ester Formula: C18H17ClFNO4 MolecularWeight: 365.783283

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC1=C(C=CC(=[N+]1[O-])CCl)OCCC2=CC=C(C=C2)F

Isomeric SMILES

COC(=O)/C=C/C1=C(C=CC(=[N+]1[O-])CCl)OCCC2=CC=C(C=C2)F

InChI

InChI=1S/C18H17ClFNO4/c1-24-18(22)9-7-16-17(8-6-15(12-19)21(16)23)25-11-10-13-2-4-14(20)5-3-13/h2-9H,10-12H2,1H3/b9-7+