4-[(E)-2-(1-dodecylpyridin-1-ium-4-yl)ethenyl]phenol

Systemtic Name: 4-[(E)-2-(1-dodecylpyridin-1-ium-4-yl)ethenyl]phenol Openeye Name: 4-[(E)-2-(1-dodecylpyridin-1-ium-4-yl)vinyl]phenol CAS Name: 4-[(E)-2-(1-dodecyl-4-pyridin-1-iumyl)ethenyl]phenol IUPAC Name: 4-[(E)-2-(1-dodecylpyridin-1-ium-4-yl)ethenyl]phenol Traditional Name: 4-[(E)-2-(1-laurylpyridin-1-ium-4-yl)vinyl]phenol Formula: C25H36NO+ MolecularWeight: 366.55944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+]1=CC=C(C=C1)C=CC2=CC=C(C=C2)O

Isomeric SMILES

CCCCCCCCCCCC[N+]1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)O

InChI

InChI=1S/C25H35NO/c1-2-3-4-5-6-7-8-9-10-11-20-26-21-18-24(19-22-26)13-12-23-14-16-25(27)17-15-23/h12-19,21-22H,2-11,20H2,1H3/p+1