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

Systemtic Name: methyl (E)-3-[3-[4-(4-methoxyphenyl)butoxy]-6-methyl-1-oxidanidyl-pyridin-1-ium-2-yl]prop-2-enoate Openeye Name: methyl (E)-3-[3-[4-(4-methoxyphenyl)butoxy]-6-methyl-1-oxido-pyridin-1-ium-2-yl]prop-2-enoate CAS Name: (E)-3-[3-[4-(4-methoxyphenyl)butoxy]-6-methyl-1-oxido-2-pyridin-1-iumyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[3-[4-(4-methoxyphenyl)butoxy]-6-methyl-1-oxidopyridin-1-ium-2-yl]prop-2-enoate Traditional Name: (E)-3-[3-[4-(4-methoxyphenyl)butoxy]-6-methyl-1-oxido-pyridin-1-ium-2-yl]acrylic acid methyl ester Formula: C21H25NO5 MolecularWeight: 371.4269

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=C(C=C1)OCCCCC2=CC=C(C=C2)OC)C=CC(=O)OC)[O-]

Isomeric SMILES

CC1=[N+](C(=C(C=C1)OCCCCC2=CC=C(C=C2)OC)/C=C/C(=O)OC)[O-]

InChI

InChI=1S/C21H25NO5/c1-16-7-13-20(19(22(16)24)12-14-21(23)26-3)27-15-5-4-6-17-8-10-18(25-2)11-9-17/h7-14H,4-6,15H2,1-3H3/b14-12+