3-[2-[(4-phenylpyridin-1-ium-1-yl)methylsulfanyl]ethyl]-1H-indole bromide

Systemtic Name: 3-[2-[(4-phenylpyridin-1-ium-1-yl)methylsulfanyl]ethyl]-1H-indole bromide Openeye Name: 3-[2-[(4-phenylpyridin-1-ium-1-yl)methylsulfanyl]ethyl]-1H-indole bromide CAS Name: 3-[2-[(4-phenyl-1-pyridin-1-iumyl)methylthio]ethyl]-1H-indole bromide IUPAC Name: 3-[2-[(4-phenylpyridin-1-ium-1-yl)methylsulfanyl]ethyl]-1H-indole bromide Traditional Name: 3-[2-[(4-phenylpyridin-1-ium-1-yl)methylthio]ethyl]-1H-indole bromide Formula: C22H21BrN2S MolecularWeight: 425.38454

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=[N+](C=C2)CSCCC3=CNC4=CC=CC=C43.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=[N+](C=C2)CSCCC3=CNC4=CC=CC=C43.[Br-]

InChI

InChI=1S/C22H21N2S.BrH/c1-2-6-18(7-3-1)19-10-13-24(14-11-19)17-25-15-12-20-16-23-22-9-5-4-8-21(20)22;/h1-11,13-14,16,23H,12,15,17H2;1H/q+1;/p-1