[1-[2-(1H-indol-3-yl)ethyl]pyridin-1-ium-3-yl]-phenyl-methanone bromide

Systemtic Name: [1-[2-(1H-indol-3-yl)ethyl]pyridin-1-ium-3-yl]-phenyl-methanone bromide Openeye Name: [1-[2-(1H-indol-3-yl)ethyl]pyridin-1-ium-3-yl]-phenyl-methanone bromide CAS Name: [1-[2-(1H-indol-3-yl)ethyl]-3-pyridin-1-iumyl]-phenylmethanone bromide IUPAC Name: [1-[2-(1H-indol-3-yl)ethyl]pyridin-1-ium-3-yl]-phenylmethanone bromide Traditional Name: [1-[2-(1H-indol-3-yl)ethyl]pyridin-1-ium-3-yl]-phenyl-methanone bromide Formula: C22H19BrN2O MolecularWeight: 407.30306

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=C[N+](=CC=C2)CCC3=CNC4=CC=CC=C43.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=C[N+](=CC=C2)CCC3=CNC4=CC=CC=C43.[Br-]

InChI

InChI=1S/C22H19N2O.BrH/c25-22(17-7-2-1-3-8-17)19-9-6-13-24(16-19)14-12-18-15-23-21-11-5-4-10-20(18)21;/h1-11,13,15-16,23H,12,14H2;1H/q+1;/p-1