2-[(E)-2-[4-(4,4-dimethoxybutoxy)phenyl]ethenyl]-1-methyl-pyridin-1-ium iodide

Systemtic Name: 2-[(E)-2-[4-(4,4-dimethoxybutoxy)phenyl]ethenyl]-1-methyl-pyridin-1-ium iodide Openeye Name: 2-[(E)-2-[4-(4,4-dimethoxybutoxy)phenyl]vinyl]-1-methyl-pyridin-1-ium iodide CAS Name: 2-[(E)-2-[4-(4,4-dimethoxybutoxy)phenyl]ethenyl]-1-methylpyridin-1-ium iodide IUPAC Name: 2-[(E)-2-[4-(4,4-dimethoxybutoxy)phenyl]ethenyl]-1-methylpyridin-1-ium iodide Traditional Name: 2-[(E)-2-[4-(4,4-dimethoxybutoxy)phenyl]vinyl]-1-methyl-pyridin-1-ium iodide Formula: C20H26INO3 MolecularWeight: 455.32981

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26NO3.HI/c1-21-15-5-4-7-18(21)12-9-17-10-13-19(14-11-17)24-16-6-8-20(22-2)23-3;/h4-5,7,9-15,20H,6,8,16H2,1-3H3;1H/q+1;/p-1/b12-9+;