1-[2-[(E)-hexadec-1-enyl]sulfanylethyl]pyridin-1-ium

Systemtic Name: 1-[2-[(E)-hexadec-1-enyl]sulfanylethyl]pyridin-1-ium Openeye Name: 1-[2-[(E)-hexadec-1-enyl]sulfanylethyl]pyridin-1-ium CAS Name: 1-[2-[[(E)-hexadec-1-enyl]thio]ethyl]pyridin-1-ium IUPAC Name: 1-[2-[(E)-hexadec-1-enyl]sulfanylethyl]pyridin-1-ium Traditional Name: 1-[2-[[(E)-hexadec-1-enyl]thio]ethyl]pyridin-1-ium Formula: C23H40NS+ MolecularWeight: 362.6354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC=CSCC[N+]1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCCC/C=C/SCC[N+]1=CC=CC=C1

InChI

InChI=1S/C23H40NS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-22-25-23-21-24-19-16-15-17-20-24/h15-20,22H,2-14,21,23H2,1H3/q+1/b22-18+