[1-methylsulfonyl-1-[4-(4-pyridin-2-yloxyphenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methanamine

Systemtic Name: [1-methylsulfonyl-1-[4-(4-pyridin-2-yloxyphenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methanamine Openeye Name: [1-methylsulfonyl-1-[4-[4-(2-pyridyloxy)phenoxy]phenyl]-2H-pyridin-1-ium-5-yl]methanamine CAS Name: [1-methylsulfonyl-1-[4-[4-(2-pyridinyloxy)phenoxy]phenyl]-2H-pyridin-1-ium-5-yl]methanamine IUPAC Name: [1-methylsulfonyl-1-[4-(4-pyridin-2-yloxyphenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methanamine Traditional Name: [1-mesyl-1-[4-[4-(2-pyridyloxy)phenoxy]phenyl]-2H-pyridin-1-ium-5-yl]methylamine Formula: C24H24N3O4S+ MolecularWeight: 450.53006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)[N+]1(CC=CC(=C1)CN)C2=CC=C(C=C2)OC3=CC=C(C=C3)OC4=CC=CC=N4

Isomeric SMILES

CS(=O)(=O)[N+]1(CC=CC(=C1)CN)C2=CC=C(C=C2)OC3=CC=C(C=C3)OC4=CC=CC=N4

InChI

InChI=1S/C24H24N3O4S/c1-32(28,29)27(16-4-5-19(17-25)18-27)20-7-9-21(10-8-20)30-22-11-13-23(14-12-22)31-24-6-2-3-15-26-24/h2-15,18H,16-17,25H2,1H3/q+1