[1-ethylsulfonyl-1-[3-(2-methoxyphenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methanamine

Systemtic Name: [1-ethylsulfonyl-1-[3-(2-methoxyphenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methanamine Openeye Name: [1-ethylsulfonyl-1-[3-(2-methoxyphenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methanamine CAS Name: [1-ethylsulfonyl-1-[3-(2-methoxyphenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methanamine IUPAC Name: [1-ethylsulfonyl-1-[3-(2-methoxyphenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methanamine Traditional Name: [1-esyl-1-[3-(2-methoxyphenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methylamine Formula: C21H25N2O4S+ MolecularWeight: 401.4992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)[N+]1(CC=CC(=C1)CN)C2=CC(=CC=C2)OC3=CC=CC=C3OC

Isomeric SMILES

CCS(=O)(=O)[N+]1(CC=CC(=C1)CN)C2=CC(=CC=C2)OC3=CC=CC=C3OC

InChI

InChI=1S/C21H25N2O4S/c1-3-28(24,25)23(13-7-8-17(15-22)16-23)18-9-6-10-19(14-18)27-21-12-5-4-11-20(21)26-2/h4-12,14,16H,3,13,15,22H2,1-2H3/q+1