2-(2,3,3-trimethylindol-1-ium-1-yl)ethanesulfonic acid bromide

Systemtic Name: 2-(2,3,3-trimethylindol-1-ium-1-yl)ethanesulfonic acid bromide Openeye Name: 2-(2,3,3-trimethylindol-1-ium-1-yl)ethanesulfonic acid bromide CAS Name: 2-(2,3,3-trimethyl-1-indol-1-iumyl)ethanesulfonic acid bromide IUPAC Name: 2-(2,3,3-trimethylindol-1-ium-1-yl)ethanesulfonic acid bromide Traditional Name: 2-(2,3,3-trimethylindol-1-ium-1-yl)ethanesulfonic acid bromide Formula: C13H18BrNO3S MolecularWeight: 348.25592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=CC=CC=C2C1(C)C)CCS(=O)(=O)O.[Br-]

Isomeric SMILES

CC1=[N+](C2=CC=CC=C2C1(C)C)CCS(=O)(=O)O.[Br-]

InChI

InChI=1S/C13H17NO3S.BrH/c1-10-13(2,3)11-6-4-5-7-12(11)14(10)8-9-18(15,16)17;/h4-7H,8-9H2,1-3H3;1H