[1-(3-chloranyl-4-phenoxy-phenyl)-1-methylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine

Systemtic Name: [1-(3-chloranyl-4-phenoxy-phenyl)-1-methylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine Openeye Name: [1-(3-chloro-4-phenoxy-phenyl)-1-methylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine CAS Name: [1-(3-chloro-4-phenoxyphenyl)-1-methylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine IUPAC Name: [1-(3-chloro-4-phenoxyphenyl)-1-methylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine Traditional Name: [1-(3-chloro-4-phenoxy-phenyl)-1-mesyl-2H-pyridin-1-ium-5-yl]methylamine Formula: C19H20ClN2O3S+ MolecularWeight: 391.8917

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=CC=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClN2O3S/c1-26(23,24)22(11-5-6-15(13-21)14-22)16-9-10-19(18(20)12-16)25-17-7-3-2-4-8-17/h2-10,12,14H,11,13,21H2,1H3/q+1