methyl (E)-3-[3-[8-(4-methoxyphenyl)octoxy]-6-methyl-1-oxidanidyl-pyridin-1-ium-2-yl]prop-2-enoate

Systemtic Name: methyl (E)-3-[3-[8-(4-methoxyphenyl)octoxy]-6-methyl-1-oxidanidyl-pyridin-1-ium-2-yl]prop-2-enoate Openeye Name: methyl (E)-3-[3-[8-(4-methoxyphenyl)octoxy]-6-methyl-1-oxido-pyridin-1-ium-2-yl]prop-2-enoate CAS Name: (E)-3-[3-[8-(4-methoxyphenyl)octoxy]-6-methyl-1-oxido-2-pyridin-1-iumyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[3-[8-(4-methoxyphenyl)octoxy]-6-methyl-1-oxidopyridin-1-ium-2-yl]prop-2-enoate Traditional Name: (E)-3-[3-[8-(4-methoxyphenyl)octoxy]-6-methyl-1-oxido-pyridin-1-ium-2-yl]acrylic acid methyl ester Formula: C25H33NO5 MolecularWeight: 427.53322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=C(C=C1)OCCCCCCCCC2=CC=C(C=C2)OC)C=CC(=O)OC)[O-]

Isomeric SMILES

CC1=[N+](C(=C(C=C1)OCCCCCCCCC2=CC=C(C=C2)OC)/C=C/C(=O)OC)[O-]

InChI

InChI=1S/C25H33NO5/c1-20-11-17-24(23(26(20)28)16-18-25(27)30-3)31-19-9-7-5-4-6-8-10-21-12-14-22(29-2)15-13-21/h11-18H,4-10,19H2,1-3H3/b18-16+