2-(2,3,3-trimethyl-1,2-dihydroindol-1-ium-1-yl)hexanoic acid bromide

Systemtic Name: 2-(2,3,3-trimethyl-1,2-dihydroindol-1-ium-1-yl)hexanoic acid bromide Openeye Name: 2-(2,3,3-trimethylindolin-1-ium-1-yl)hexanoic acid bromide CAS Name: 2-(2,3,3-trimethyl-1,2-dihydroindol-1-ium-1-yl)hexanoic acid bromide IUPAC Name: 2-(2,3,3-trimethyl-1,2-dihydroindol-1-ium-1-yl)hexanoic acid bromide Traditional Name: 2-(2,3,3-trimethylindolin-1-ium-1-yl)hexanoic acid bromide Formula: C17H26BrNO2 MolecularWeight: 356.29784

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)[NH+]1C(C(C2=CC=CC=C21)(C)C)C.[Br-]

Isomeric SMILES

CCCCC(C(=O)O)[NH+]1C(C(C2=CC=CC=C21)(C)C)C.[Br-]

InChI

InChI=1S/C17H25NO2.BrH/c1-5-6-10-15(16(19)20)18-12(2)17(3,4)13-9-7-8-11-14(13)18;/h7-9,11-12,15H,5-6,10H2,1-4H3,(H,19,20);1H