3-(4-phenoxypyridin-1-ium-1-yl)propane-1-sulfonic acid

Systemtic Name: 3-(4-phenoxypyridin-1-ium-1-yl)propane-1-sulfonic acid Openeye Name: 3-(4-phenoxypyridin-1-ium-1-yl)propane-1-sulfonic acid CAS Name: 3-(4-phenoxy-1-pyridin-1-iumyl)-1-propanesulfonic acid IUPAC Name: 3-(4-phenoxypyridin-1-ium-1-yl)propane-1-sulfonic acid Traditional Name: 3-(4-phenoxypyridin-1-ium-1-yl)propane-1-sulfonic acid Formula: C14H16NO4S+ MolecularWeight: 294.34614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=[N+](C=C2)CCCS(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=[N+](C=C2)CCCS(=O)(=O)O

InChI

InChI=1S/C14H15NO4S/c16-20(17,18)12-4-9-15-10-7-14(8-11-15)19-13-5-2-1-3-6-13/h1-3,5-8,10-11H,4,9,12H2/p+1