6-(2,3,3-trimethyl-5-sulfo-indol-1-ium-1-yl)hexanoic acid bromide

Systemtic Name: 6-(2,3,3-trimethyl-5-sulfo-indol-1-ium-1-yl)hexanoic acid bromide Openeye Name: 6-(2,3,3-trimethyl-5-sulfo-indol-1-ium-1-yl)hexanoic acid bromide CAS Name: 6-(2,3,3-trimethyl-5-sulfo-1-indol-1-iumyl)hexanoic acid bromide IUPAC Name: 6-(2,3,3-trimethyl-5-sulfoindol-1-ium-1-yl)hexanoic acid bromide Traditional Name: 6-(2,3,3-trimethyl-5-sulfo-indol-1-ium-1-yl)hexanoic acid bromide Formula: C17H24BrNO5S MolecularWeight: 434.34516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(C1(C)C)C=C(C=C2)S(=O)(=O)O)CCCCCC(=O)O.[Br-]

Isomeric SMILES

CC1=[N+](C2=C(C1(C)C)C=C(C=C2)S(=O)(=O)O)CCCCCC(=O)O.[Br-]

InChI

InChI=1S/C17H23NO5S.BrH/c1-12-17(2,3)14-11-13(24(21,22)23)8-9-15(14)18(12)10-6-4-5-7-16(19)20;/h8-9,11H,4-7,10H2,1-3H3,(H-,19,20,21,22,23);1H