3-(4-chlorophenyl)-2-[1-(2-hydroxyethyl)pyridin-1-ium-4-yl]prop-2-ene-1-sulfonic acid

Systemtic Name: 3-(4-chlorophenyl)-2-[1-(2-hydroxyethyl)pyridin-1-ium-4-yl]prop-2-ene-1-sulfonic acid Openeye Name: 3-(4-chlorophenyl)-2-[1-(2-hydroxyethyl)pyridin-1-ium-4-yl]prop-2-ene-1-sulfonic acid CAS Name: 3-(4-chlorophenyl)-2-[1-(2-hydroxyethyl)-4-pyridin-1-iumyl]-2-propene-1-sulfonic acid IUPAC Name: 3-(4-chlorophenyl)-2-[1-(2-hydroxyethyl)pyridin-1-ium-4-yl]prop-2-ene-1-sulfonic acid Traditional Name: 3-(4-chlorophenyl)-2-[1-(2-hydroxyethyl)pyridin-1-ium-4-yl]prop-2-ene-1-sulfonic acid Formula: C16H17ClNO4S+ MolecularWeight: 354.82848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=C(CS(=O)(=O)O)C2=CC=[N+](C=C2)CCO)Cl

Isomeric SMILES

C1=CC(=CC=C1C=C(CS(=O)(=O)O)C2=CC=[N+](C=C2)CCO)Cl

InChI

InChI=1S/C16H16ClNO4S/c17-16-3-1-13(2-4-16)11-15(12-23(20,21)22)14-5-7-18(8-6-14)9-10-19/h1-8,11,19H,9-10,12H2/p+1