4-[(E)-2-(4-hexadecoxyphenyl)ethenyl]-1-methyl-pyridin-1-ium iodide

Systemtic Name: 4-[(E)-2-(4-hexadecoxyphenyl)ethenyl]-1-methyl-pyridin-1-ium iodide Openeye Name: 4-[(E)-2-(4-hexadecoxyphenyl)vinyl]-1-methyl-pyridin-1-ium iodide CAS Name: 4-[(E)-2-(4-hexadecoxyphenyl)ethenyl]-1-methylpyridin-1-ium iodide IUPAC Name: 4-[(E)-2-(4-hexadecoxyphenyl)ethenyl]-1-methylpyridin-1-ium iodide Traditional Name: 4-[(E)-2-(4-cetyloxyphenyl)vinyl]-1-methyl-pyridin-1-ium iodide Formula: C30H46INO MolecularWeight: 563.59681

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C=CC2=CC=[N+](C=C2)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)/C=C/C2=CC=[N+](C=C2)C.[I-]

InChI

InChI=1S/C30H46NO.HI/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-27-32-30-21-19-28(20-22-30)17-18-29-23-25-31(2)26-24-29;/h17-26H,3-16,27H2,1-2H3;1H/q+1;/p-1/b18-17+;