(4-methylsulfonylphenyl)-[1-(2-oxidanyl-3-phenoxy-propyl)-4-phenyl-pyridin-1-ium-2-yl]methanone chloride

Systemtic Name: (4-methylsulfonylphenyl)-[1-(2-oxidanyl-3-phenoxy-propyl)-4-phenyl-pyridin-1-ium-2-yl]methanone chloride Openeye Name: [1-(2-hydroxy-3-phenoxy-propyl)-4-phenyl-pyridin-1-ium-2-yl]-(4-methylsulfonylphenyl)methanone chloride CAS Name: [1-(2-hydroxy-3-phenoxypropyl)-4-phenyl-2-pyridin-1-iumyl]-(4-methylsulfonylphenyl)methanone chloride IUPAC Name: [1-(2-hydroxy-3-phenoxypropyl)-4-phenylpyridin-1-ium-2-yl]-(4-methylsulfonylphenyl)methanone chloride Traditional Name: [1-(2-hydroxy-3-phenoxy-propyl)-4-phenyl-pyridin-1-ium-2-yl]-(4-mesylphenyl)methanone chloride Formula: C28H26ClNO5S MolecularWeight: 524.02774

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(=O)C2=[N+](C=CC(=C2)C3=CC=CC=C3)CC(COC4=CC=CC=C4)O.[Cl-]

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C(=O)C2=[N+](C=CC(=C2)C3=CC=CC=C3)CC(COC4=CC=CC=C4)O.[Cl-]

InChI

InChI=1S/C28H26NO5S.ClH/c1-35(32,33)26-14-12-22(13-15-26)28(31)27-18-23(21-8-4-2-5-9-21)16-17-29(27)19-24(30)20-34-25-10-6-3-7-11-25;/h2-18,24,30H,19-20H2,1H3;1H/q+1;/p-1