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

Systemtic Name: methyl (E)-3-[3-[(4-fluorophenyl)methoxy]-6-methyl-1-oxidanidyl-pyridin-1-ium-2-yl]prop-2-enoate Openeye Name: methyl (E)-3-[3-[(4-fluorophenyl)methoxy]-6-methyl-1-oxido-pyridin-1-ium-2-yl]prop-2-enoate CAS Name: (E)-3-[3-[(4-fluorophenyl)methoxy]-6-methyl-1-oxido-2-pyridin-1-iumyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[3-[(4-fluorophenyl)methoxy]-6-methyl-1-oxidopyridin-1-ium-2-yl]prop-2-enoate Traditional Name: (E)-3-[3-(4-fluorobenzyl)oxy-6-methyl-1-oxido-pyridin-1-ium-2-yl]acrylic acid methyl ester Formula: C17H16FNO4 MolecularWeight: 317.311643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=C(C=C1)OCC2=CC=C(C=C2)F)C=CC(=O)OC)[O-]

Isomeric SMILES

CC1=[N+](C(=C(C=C1)OCC2=CC=C(C=C2)F)/C=C/C(=O)OC)[O-]

InChI

InChI=1S/C17H16FNO4/c1-12-3-9-16(15(19(12)21)8-10-17(20)22-2)23-11-13-4-6-14(18)7-5-13/h3-10H,11H2,1-2H3/b10-8+