Molecule ID: 8816

IUPAC Name: 1-hexadecylpyridin-1-ium;bromide

Description: The molecule is a pyridinium salt that has N-hexadecylpyridinium as the cation and bromide as the anion. It has a role as a surfactant, an antiseptic drug and an EC 2.7.11.18 (myosin-light-chain kinase) inhibitor. It is a pyridinium salt and a bromide salt.

SMILES: CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]

SELFIES: [C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][N+1][=C][C][=C][C][=C][Ring1][=Branch1].[Br-1]

InChI: InChI=1S/C21H38N.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22;/h15,17-18,20-21H,2-14,16,19H2,1H3;1H/q+1;/p-1

Molecular Properties:
- Polar Surface Area: 3.9 Ų
- LogP: nan