1-(4-methoxyphenyl)-2-[3-[1-(phenylsulfonyl)indol-2-yl]carbonylpyridin-1-ium-1-yl]ethanone bromide

Systemtic Name: 1-(4-methoxyphenyl)-2-[3-[1-(phenylsulfonyl)indol-2-yl]carbonylpyridin-1-ium-1-yl]ethanone bromide Openeye Name: 2-[3-[1-(benzenesulfonyl)indole-2-carbonyl]pyridin-1-ium-1-yl]-1-(4-methoxyphenyl)ethanone bromide CAS Name: 2-[3-[[1-(benzenesulfonyl)-2-indolyl]-oxomethyl]-1-pyridin-1-iumyl]-1-(4-methoxyphenyl)ethanone bromide IUPAC Name: 2-[3-[1-(benzenesulfonyl)indole-2-carbonyl]pyridin-1-ium-1-yl]-1-(4-methoxyphenyl)ethanone bromide Traditional Name: 2-[3-(1-besylindole-2-carbonyl)pyridin-1-ium-1-yl]-1-(4-methoxyphenyl)ethanone bromide Formula: C29H23BrN2O5S MolecularWeight: 591.47232

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C[N+]2=CC=CC(=C2)C(=O)C3=CC4=CC=CC=C4N3S(=O)(=O)C5=CC=CC=C5.[Br-]

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C[N+]2=CC=CC(=C2)C(=O)C3=CC4=CC=CC=C4N3S(=O)(=O)C5=CC=CC=C5.[Br-]

InChI

InChI=1S/C29H23N2O5S.BrH/c1-36-24-15-13-21(14-16-24)28(32)20-30-17-7-9-23(19-30)29(33)27-18-22-8-5-6-12-26(22)31(27)37(34,35)25-10-3-2-4-11-25;/h2-19H,20H2,1H3;1H/q+1;/p-1