2-[10-(1-hexadecylpyridin-1-ium-3-yl)decanoyloxy]benzoate

Systemtic Name: 2-[10-(1-hexadecylpyridin-1-ium-3-yl)decanoyloxy]benzoate Openeye Name: 2-[10-(1-hexadecylpyridin-1-ium-3-yl)decanoyloxy]benzoate CAS Name: 2-[10-(1-hexadecyl-3-pyridin-1-iumyl)-1-oxodecoxy]benzoate IUPAC Name: 2-[10-(1-hexadecylpyridin-1-ium-3-yl)decanoyloxy]benzoate Traditional Name: 2-[10-(1-cetylpyridin-1-ium-3-yl)decanoyloxy]benzoate Formula: C38H59NO4 MolecularWeight: 593.87936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+]1=CC=CC(=C1)CCCCCCCCCC(=O)OC2=CC=CC=C2C(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+]1=CC=CC(=C1)CCCCCCCCCC(=O)OC2=CC=CC=C2C(=O)[O-]

InChI

InChI=1S/C38H59NO4/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-24-31-39-32-25-27-34(33-39)26-20-17-14-13-15-18-21-30-37(40)43-36-29-23-22-28-35(36)38(41)42/h22-23,25,27-29,32-33H,2-21,24,26,30-31H2,1H3