(4-methylsulfonylphenyl)-[2-[2-oxidanyl-3-(4-phenylpyridin-1-ium-1-yl)propoxy]phenyl]methanone

Systemtic Name: (4-methylsulfonylphenyl)-[2-[2-oxidanyl-3-(4-phenylpyridin-1-ium-1-yl)propoxy]phenyl]methanone Openeye Name: [2-[2-hydroxy-3-(4-phenylpyridin-1-ium-1-yl)propoxy]phenyl]-(4-methylsulfonylphenyl)methanone CAS Name: [2-[2-hydroxy-3-(4-phenyl-1-pyridin-1-iumyl)propoxy]phenyl]-(4-methylsulfonylphenyl)methanone IUPAC Name: [2-[2-hydroxy-3-(4-phenylpyridin-1-ium-1-yl)propoxy]phenyl]-(4-methylsulfonylphenyl)methanone Traditional Name: [2-[2-hydroxy-3-(4-phenylpyridin-1-ium-1-yl)propoxy]phenyl]-(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=CC=CC=C2OCC(C[N+]3=CC=C(C=C3)C4=CC=CC=C4)O

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C(=O)C2=CC=CC=C2OCC(C[N+]3=CC=C(C=C3)C4=CC=CC=C4)O

InChI

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