2-[1-(2-oxidanyl-3-phenoxy-propyl)pyridin-1-ium-4-yl]ethanesulfonic acid

Systemtic Name: 2-[1-(2-oxidanyl-3-phenoxy-propyl)pyridin-1-ium-4-yl]ethanesulfonic acid Openeye Name: 2-[1-(2-hydroxy-3-phenoxy-propyl)pyridin-1-ium-4-yl]ethanesulfonic acid CAS Name: 2-[1-(2-hydroxy-3-phenoxypropyl)-4-pyridin-1-iumyl]ethanesulfonic acid IUPAC Name: 2-[1-(2-hydroxy-3-phenoxypropyl)pyridin-1-ium-4-yl]ethanesulfonic acid Traditional Name: 2-[1-(2-hydroxy-3-phenoxy-propyl)pyridin-1-ium-4-yl]ethanesulfonic acid Formula: C16H20NO5S+ MolecularWeight: 338.3987

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC(C[N+]2=CC=C(C=C2)CCS(=O)(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)OCC(C[N+]2=CC=C(C=C2)CCS(=O)(=O)O)O

InChI

InChI=1S/C16H19NO5S/c18-15(13-22-16-4-2-1-3-5-16)12-17-9-6-14(7-10-17)8-11-23(19,20)21/h1-7,9-10,15,18H,8,11-13H2/p+1