3-[4-(4-thiophen-2-ylpyridin-1-ium-1-yl)butyl]-1H-indole bromide

Systemtic Name: 3-[4-(4-thiophen-2-ylpyridin-1-ium-1-yl)butyl]-1H-indole bromide Openeye Name: 3-[4-[4-(2-thienyl)pyridin-1-ium-1-yl]butyl]-1H-indole bromide CAS Name: 3-[4-(4-thiophen-2-yl-1-pyridin-1-iumyl)butyl]-1H-indole bromide IUPAC Name: 3-[4-(4-thiophen-2-ylpyridin-1-ium-1-yl)butyl]-1H-indole bromide Traditional Name: 3-[4-[4-(2-thienyl)pyridin-1-ium-1-yl]butyl]-1H-indole bromide Formula: C21H21BrN2S MolecularWeight: 413.37384

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CCCC[N+]3=CC=C(C=C3)C4=CC=CS4.[Br-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CCCC[N+]3=CC=C(C=C3)C4=CC=CS4.[Br-]

InChI

InChI=1S/C21H21N2S.BrH/c1-2-8-20-19(7-1)18(16-22-20)6-3-4-12-23-13-10-17(11-14-23)21-9-5-15-24-21;/h1-2,5,7-11,13-16,22H,3-4,6,12H2;1H/q+1;/p-1