1-(3,3-dimethyl-2-oxidanylidene-butyl)pyridin-1-ium-3-carboxamide bromide

Systemtic Name: 1-(3,3-dimethyl-2-oxidanylidene-butyl)pyridin-1-ium-3-carboxamide bromide Openeye Name: 1-(3,3-dimethyl-2-oxo-butyl)pyridin-1-ium-3-carboxamide bromide CAS Name: 1-(3,3-dimethyl-2-oxobutyl)-3-pyridin-1-iumcarboxamide bromide IUPAC Name: 1-(3,3-dimethyl-2-oxobutyl)pyridin-1-ium-3-carboxamide bromide Traditional Name: 1-(2-keto-3,3-dimethyl-butyl)pyridin-1-ium-3-carboxamide bromide Formula: C12H17BrN2O2 MolecularWeight: 301.17958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C[N+]1=CC=CC(=C1)C(=O)N.[Br-]

Isomeric SMILES

CC(C)(C)C(=O)C[N+]1=CC=CC(=C1)C(=O)N.[Br-]

InChI

InChI=1S/C12H16N2O2.BrH/c1-12(2,3)10(15)8-14-6-4-5-9(7-14)11(13)16;/h4-7H,8H2,1-3H3,(H-,13,16);1H