3-[4-(4-phenylpyridin-1-ium-1-yl)butyl]-1H-indole-5-carboxylic acid bromide

Systemtic Name: 3-[4-(4-phenylpyridin-1-ium-1-yl)butyl]-1H-indole-5-carboxylic acid bromide Openeye Name: 3-[4-(4-phenylpyridin-1-ium-1-yl)butyl]-1H-indole-5-carboxylic acid bromide CAS Name: 3-[4-(4-phenyl-1-pyridin-1-iumyl)butyl]-1H-indole-5-carboxylic acid bromide IUPAC Name: 3-[4-(4-phenylpyridin-1-ium-1-yl)butyl]-1H-indole-5-carboxylic acid bromide Traditional Name: 3-[4-(4-phenylpyridin-1-ium-1-yl)butyl]-1H-indole-5-carboxylic acid bromide Formula: C24H23BrN2O2 MolecularWeight: 451.35562

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=[N+](C=C2)CCCCC3=CNC4=C3C=C(C=C4)C(=O)O.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=[N+](C=C2)CCCCC3=CNC4=C3C=C(C=C4)C(=O)O.[Br-]

InChI

InChI=1S/C24H22N2O2.BrH/c27-24(28)20-9-10-23-22(16-20)21(17-25-23)8-4-5-13-26-14-11-19(12-15-26)18-6-2-1-3-7-18;/h1-3,6-7,9-12,14-17,25H,4-5,8,13H2;1H