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

Systemtic Name: 4-[(E)-2-(4-hexadecoxyphenyl)ethenyl]-1-methyl-pyridin-1-ium Openeye Name: 4-[(E)-2-(4-hexadecoxyphenyl)vinyl]-1-methyl-pyridin-1-ium CAS Name: 4-[(E)-2-(4-hexadecoxyphenyl)ethenyl]-1-methylpyridin-1-ium IUPAC Name: 4-[(E)-2-(4-hexadecoxyphenyl)ethenyl]-1-methylpyridin-1-ium Traditional Name: 4-[(E)-2-(4-cetyloxyphenyl)vinyl]-1-methyl-pyridin-1-ium Formula: C30H46NO+ MolecularWeight: 436.69234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H46NO/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/q+1/b18-17+