[1-[4-(2,6-dimethoxyphenoxy)phenyl]-1-ethylsulfonyl-2H-pyridin-1-ium-4-yl]methanamine

Systemtic Name: [1-[4-(2,6-dimethoxyphenoxy)phenyl]-1-ethylsulfonyl-2H-pyridin-1-ium-4-yl]methanamine Openeye Name: [1-[4-(2,6-dimethoxyphenoxy)phenyl]-1-ethylsulfonyl-2H-pyridin-1-ium-4-yl]methanamine CAS Name: [1-[4-(2,6-dimethoxyphenoxy)phenyl]-1-ethylsulfonyl-2H-pyridin-1-ium-4-yl]methanamine IUPAC Name: [1-[4-(2,6-dimethoxyphenoxy)phenyl]-1-ethylsulfonyl-2H-pyridin-1-ium-4-yl]methanamine Traditional Name: [1-[4-(2,6-dimethoxyphenoxy)phenyl]-1-esyl-2H-pyridin-1-ium-4-yl]methylamine Formula: C22H27N2O5S+ MolecularWeight: 431.52518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N2O5S/c1-4-30(25,26)24(14-12-17(16-23)13-15-24)18-8-10-19(11-9-18)29-22-20(27-2)6-5-7-21(22)28-3/h5-14H,4,15-16,23H2,1-3H3/q+1