methyl (E)-3-[6-(hydroxymethyl)-1-oxidanidyl-3-phenethyloxy-pyridin-1-ium-2-yl]prop-2-enoate

Systemtic Name: methyl (E)-3-[6-(hydroxymethyl)-1-oxidanidyl-3-phenethyloxy-pyridin-1-ium-2-yl]prop-2-enoate Openeye Name: methyl (E)-3-[6-(hydroxymethyl)-1-oxido-3-phenethyloxy-pyridin-1-ium-2-yl]prop-2-enoate CAS Name: (E)-3-[6-(hydroxymethyl)-1-oxido-3-phenethyloxy-2-pyridin-1-iumyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[6-(hydroxymethyl)-1-oxido-3-phenethyloxypyridin-1-ium-2-yl]prop-2-enoate Traditional Name: (E)-3-(6-methylol-1-oxido-3-phenethyloxy-pyridin-1-ium-2-yl)acrylic acid methyl ester Formula: C18H19NO5 MolecularWeight: 329.34716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19NO5/c1-23-18(21)10-8-16-17(9-7-15(13-20)19(16)22)24-12-11-14-5-3-2-4-6-14/h2-10,20H,11-13H2,1H3/b10-8+