2-[4-[2-(1H-indol-3-yl)ethyl]pyridin-1-ium-1-yl]-1-(4-phenylphenyl)ethanone bromide

Systemtic Name: 2-[4-[2-(1H-indol-3-yl)ethyl]pyridin-1-ium-1-yl]-1-(4-phenylphenyl)ethanone bromide Openeye Name: 2-[4-[2-(1H-indol-3-yl)ethyl]pyridin-1-ium-1-yl]-1-(4-phenylphenyl)ethanone bromide CAS Name: 2-[4-[2-(1H-indol-3-yl)ethyl]-1-pyridin-1-iumyl]-1-(4-phenylphenyl)ethanone bromide IUPAC Name: 2-[4-[2-(1H-indol-3-yl)ethyl]pyridin-1-ium-1-yl]-1-(4-phenylphenyl)ethanone bromide Traditional Name: 2-[4-[2-(1H-indol-3-yl)ethyl]pyridin-1-ium-1-yl]-1-(4-phenylphenyl)ethanone bromide Formula: C29H25BrN2O MolecularWeight: 497.4256

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)C[N+]3=CC=C(C=C3)CCC4=CNC5=CC=CC=C54.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)C[N+]3=CC=C(C=C3)CCC4=CNC5=CC=CC=C54.[Br-]

InChI

InChI=1S/C29H25N2O.BrH/c32-29(25-14-12-24(13-15-25)23-6-2-1-3-7-23)21-31-18-16-22(17-19-31)10-11-26-20-30-28-9-5-4-8-27(26)28;/h1-9,12-20,30H,10-11,21H2;1H/q+1;/p-1