3-[3-(1,1-dihexoxyethyl)pyridin-1-ium-1-yl]propane-1-sulfonic acid

Systemtic Name: 3-[3-(1,1-dihexoxyethyl)pyridin-1-ium-1-yl]propane-1-sulfonic acid Openeye Name: 3-[3-(1,1-dihexoxyethyl)pyridin-1-ium-1-yl]propane-1-sulfonic acid CAS Name: 3-[3-(1,1-dihexoxyethyl)-1-pyridin-1-iumyl]-1-propanesulfonic acid IUPAC Name: 3-[3-(1,1-dihexoxyethyl)pyridin-1-ium-1-yl]propane-1-sulfonic acid Traditional Name: 3-[3-(1,1-dihexoxyethyl)pyridin-1-ium-1-yl]propane-1-sulfonic acid Formula: C22H40NO5S+ MolecularWeight: 430.6217

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(C)(C1=C[N+](=CC=C1)CCCS(=O)(=O)O)OCCCCCC

Isomeric SMILES

CCCCCCOC(C)(C1=C[N+](=CC=C1)CCCS(=O)(=O)O)OCCCCCC

InChI

InChI=1S/C22H39NO5S/c1-4-6-8-10-17-27-22(3,28-18-11-9-7-5-2)21-14-12-15-23(20-21)16-13-19-29(24,25)26/h12,14-15,20H,4-11,13,16-19H2,1-3H3/p+1