2-[(E)-2-[3-(2,2-dimethoxyethoxy)phenyl]ethenyl]-1-methyl-pyridin-1-ium iodide

Systemtic Name: 2-[(E)-2-[3-(2,2-dimethoxyethoxy)phenyl]ethenyl]-1-methyl-pyridin-1-ium iodide Openeye Name: 2-[(E)-2-[3-(2,2-dimethoxyethoxy)phenyl]vinyl]-1-methyl-pyridin-1-ium iodide CAS Name: 2-[(E)-2-[3-(2,2-dimethoxyethoxy)phenyl]ethenyl]-1-methylpyridin-1-ium iodide IUPAC Name: 2-[(E)-2-[3-(2,2-dimethoxyethoxy)phenyl]ethenyl]-1-methylpyridin-1-ium iodide Traditional Name: 2-[(E)-2-[3-(2,2-dimethoxyethoxy)phenyl]vinyl]-1-methyl-pyridin-1-ium iodide Formula: C18H22INO3 MolecularWeight: 427.27665

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1C=CC2=CC(=CC=C2)OCC(OC)OC.[I-]

Isomeric SMILES

C[N+]1=CC=CC=C1/C=C/C2=CC(=CC=C2)OCC(OC)OC.[I-]

InChI

InChI=1S/C18H22NO3.HI/c1-19-12-5-4-8-16(19)11-10-15-7-6-9-17(13-15)22-14-18(20-2)21-3;/h4-13,18H,14H2,1-3H3;1H/q+1;/p-1/b11-10+;