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

Systemtic Name: [1-[4-(2-methoxyphenoxy)phenyl]-1-methylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine Openeye Name: [1-[4-(2-methoxyphenoxy)phenyl]-1-methylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine CAS Name: [1-[4-(2-methoxyphenoxy)phenyl]-1-methylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine IUPAC Name: [1-[4-(2-methoxyphenoxy)phenyl]-1-methylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine Traditional Name: [1-mesyl-1-[4-(2-methoxyphenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methylamine Formula: C20H23N2O4S+ MolecularWeight: 387.47262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1OC2=CC=C(C=C2)[N+]3(CC=CC(=C3)CN)S(=O)(=O)C

Isomeric SMILES

COC1=CC=CC=C1OC2=CC=C(C=C2)[N+]3(CC=CC(=C3)CN)S(=O)(=O)C

InChI

InChI=1S/C20H23N2O4S/c1-25-19-7-3-4-8-20(19)26-18-11-9-17(10-12-18)22(27(2,23)24)13-5-6-16(14-21)15-22/h3-12,15H,13-14,21H2,1-2H3/q+1