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

Systemtic Name: [1-(2-chloranyl-5-methyl-4-phenoxy-phenyl)-1-propylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine Openeye Name: [1-(2-chloro-5-methyl-4-phenoxy-phenyl)-1-propylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine CAS Name: [1-(2-chloro-5-methyl-4-phenoxyphenyl)-1-propylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine IUPAC Name: [1-(2-chloro-5-methyl-4-phenoxyphenyl)-1-propylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine Traditional Name: [1-(2-chloro-5-methyl-4-phenoxy-phenyl)-1-propylsulfonyl-2H-pyridin-1-ium-5-yl]methylamine Formula: C22H26ClN2O3S+ MolecularWeight: 433.97144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26ClN2O3S/c1-3-12-29(26,27)25(11-7-8-18(15-24)16-25)21-13-17(2)22(14-20(21)23)28-19-9-5-4-6-10-19/h4-10,13-14,16H,3,11-12,15,24H2,1-2H3/q+1