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

Systemtic Name: (4-methylsulfonylphenyl)-[1-(2-oxidanyl-3-phenoxy-propyl)-4-phenyl-pyridin-1-ium-2-yl]methanone Openeye Name: [1-(2-hydroxy-3-phenoxy-propyl)-4-phenyl-pyridin-1-ium-2-yl]-(4-methylsulfonylphenyl)methanone CAS Name: [1-(2-hydroxy-3-phenoxypropyl)-4-phenyl-2-pyridin-1-iumyl]-(4-methylsulfonylphenyl)methanone IUPAC Name: [1-(2-hydroxy-3-phenoxypropyl)-4-phenylpyridin-1-ium-2-yl]-(4-methylsulfonylphenyl)methanone Traditional Name: [1-(2-hydroxy-3-phenoxy-propyl)-4-phenyl-pyridin-1-ium-2-yl]-(4-mesylphenyl)methanone Formula: C28H26NO5S+ MolecularWeight: 488.57474

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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

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

InChI

InChI=1S/C28H26NO5S/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/q+1