2-(4-methylsulfonylphenyl)-3-phenyl-1,3-dihydroindolizin-4-ium-2-ol bromide

Systemtic Name: 2-(4-methylsulfonylphenyl)-3-phenyl-1,3-dihydroindolizin-4-ium-2-ol bromide Openeye Name: 2-(4-methylsulfonylphenyl)-3-phenyl-1,3-dihydroindolizin-4-ium-2-ol bromide CAS Name: 2-(4-methylsulfonylphenyl)-3-phenyl-1,3-dihydroindolizin-4-ium-2-ol bromide IUPAC Name: 2-(4-methylsulfonylphenyl)-3-phenyl-1,3-dihydroindolizin-4-ium-2-ol bromide Traditional Name: 2-(4-mesylphenyl)-3-phenyl-1,3-dihydroindolizin-4-ium-2-ol bromide Formula: C21H20BrNO3S MolecularWeight: 446.3574

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2(CC3=CC=CC=[N+]3C2C4=CC=CC=C4)O.[Br-]

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2(CC3=CC=CC=[N+]3C2C4=CC=CC=C4)O.[Br-]

InChI

InChI=1S/C21H20NO3S.BrH/c1-26(24,25)19-12-10-17(11-13-19)21(23)15-18-9-5-6-14-22(18)20(21)16-7-3-2-4-8-16;/h2-14,20,23H,15H2,1H3;1H/q+1;/p-1