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

Systemtic Name: [1-(3-chloranyl-4-phenoxy-phenyl)-1-ethylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine Openeye Name: [1-(3-chloro-4-phenoxy-phenyl)-1-ethylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine CAS Name: [1-(3-chloro-4-phenoxyphenyl)-1-ethylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine IUPAC Name: [1-(3-chloro-4-phenoxyphenyl)-1-ethylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine Traditional Name: [1-(3-chloro-4-phenoxy-phenyl)-1-esyl-2H-pyridin-1-ium-5-yl]methylamine Formula: C20H22ClN2O3S+ MolecularWeight: 405.91828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN2O3S/c1-2-27(24,25)23(12-6-7-16(14-22)15-23)17-10-11-20(19(21)13-17)26-18-8-4-3-5-9-18/h3-11,13,15H,2,12,14,22H2,1H3/q+1