6-(2,3,3-trimethylpyrrolo[2,3-b]pyridin-7-ium-7-yl)hexanoic acid bromide

Systemtic Name: 6-(2,3,3-trimethylpyrrolo[2,3-b]pyridin-7-ium-7-yl)hexanoic acid bromide Openeye Name: 6-(2,3,3-trimethylpyrrolo[2,3-b]pyridin-7-ium-7-yl)hexanoic acid bromide CAS Name: 6-(2,3,3-trimethyl-7-pyrrolo[2,3-b]pyridin-7-iumyl)hexanoic acid bromide IUPAC Name: 6-(2,3,3-trimethylpyrrolo[2,3-b]pyridin-7-ium-7-yl)hexanoic acid bromide Traditional Name: 6-(2,3,3-trimethylpyrrolo[2,3-b]pyridin-7-ium-7-yl)hexanoic acid bromide Formula: C16H23BrN2O2 MolecularWeight: 355.27002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C1(C)C)C=CC=[N+]2CCCCCC(=O)O.[Br-]

Isomeric SMILES

CC1=NC2=C(C1(C)C)C=CC=[N+]2CCCCCC(=O)O.[Br-]

InChI

InChI=1S/C16H22N2O2.BrH/c1-12-16(2,3)13-8-7-11-18(15(13)17-12)10-6-4-5-9-14(19)20;/h7-8,11H,4-6,9-10H2,1-3H3;1H