[1-[(Z)-2-phenyl-1-propoxy-ethenyl]pyridin-1-ium-4-yl] 2-methylprop-2-enoate iodide

Systemtic Name: [1-[(Z)-2-phenyl-1-propoxy-ethenyl]pyridin-1-ium-4-yl] 2-methylprop-2-enoate iodide Openeye Name: [1-[(Z)-2-phenyl-1-propoxy-vinyl]pyridin-1-ium-4-yl] 2-methylprop-2-enoate iodide CAS Name: 2-methyl-2-propenoic acid [1-[(Z)-2-phenyl-1-propoxyethenyl]-4-pyridin-1-iumyl] ester iodide IUPAC Name: [1-[(Z)-2-phenyl-1-propoxyethenyl]pyridin-1-ium-4-yl] 2-methylprop-2-enoate iodide Traditional Name: 2-methylacrylic acid [1-[(Z)-2-phenyl-1-propoxy-vinyl]pyridin-1-ium-4-yl] ester iodide Formula: C20H22INO3 MolecularWeight: 451.29805

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=CC1=CC=CC=C1)[N+]2=CC=C(C=C2)OC(=O)C(=C)C.[I-]

Isomeric SMILES

CCCO/C(=C\C1=CC=CC=C1)/[N+]2=CC=C(C=C2)OC(=O)C(=C)C.[I-]

InChI

InChI=1S/C20H22NO3.HI/c1-4-14-23-19(15-17-8-6-5-7-9-17)21-12-10-18(11-13-21)24-20(22)16(2)3;/h5-13,15H,2,4,14H2,1,3H3;1H/q+1;/p-1/b19-15-;