2-(2,4,6-trimethylpyridin-1-ium-1-yl)ethyl benzenesulfonate

Systemtic Name: 2-(2,4,6-trimethylpyridin-1-ium-1-yl)ethyl benzenesulfonate Openeye Name: 2-(2,4,6-trimethylpyridin-1-ium-1-yl)ethyl benzenesulfonate CAS Name: benzenesulfonic acid 2-(2,4,6-trimethyl-1-pyridin-1-iumyl)ethyl ester IUPAC Name: 2-(2,4,6-trimethylpyridin-1-ium-1-yl)ethyl benzenesulfonate Traditional Name: benzenesulfonic acid 2-(2,4,6-trimethylpyridin-1-ium-1-yl)ethyl ester Formula: C16H20NO3S+ MolecularWeight: 306.3999

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+](C(=C1)C)CCOS(=O)(=O)C2=CC=CC=C2)C

Isomeric SMILES

CC1=CC(=[N+](C(=C1)C)CCOS(=O)(=O)C2=CC=CC=C2)C

InChI

InChI=1S/C16H20NO3S/c1-13-11-14(2)17(15(3)12-13)9-10-20-21(18,19)16-7-5-4-6-8-16/h4-8,11-12H,9-10H2,1-3H3/q+1