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

Systemtic Name: methyl (E)-3-[1-[(4-methoxyphenyl)methyl]pyridin-1-ium-3-yl]prop-2-enoate chloride Openeye Name: methyl (E)-3-[1-[(4-methoxyphenyl)methyl]pyridin-1-ium-3-yl]prop-2-enoate chloride CAS Name: (E)-3-[1-[(4-methoxyphenyl)methyl]-3-pyridin-1-iumyl]-2-propenoic acid methyl ester chloride IUPAC Name: methyl (E)-3-[1-[(4-methoxyphenyl)methyl]pyridin-1-ium-3-yl]prop-2-enoate chloride Traditional Name: (E)-3-(1-p-anisylpyridin-1-ium-3-yl)acrylic acid methyl ester chloride Formula: C17H18ClNO3 MolecularWeight: 319.78272

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[N+]2=CC=CC(=C2)C=CC(=O)OC.[Cl-]

Isomeric SMILES

COC1=CC=C(C=C1)C[N+]2=CC=CC(=C2)/C=C/C(=O)OC.[Cl-]

InChI

InChI=1S/C17H18NO3.ClH/c1-20-16-8-5-15(6-9-16)13-18-11-3-4-14(12-18)7-10-17(19)21-2;/h3-12H,13H2,1-2H3;1H/q+1;/p-1/b10-7+;