[1-(3,3-dimethyl-2-oxidanylidene-butyl)pyridin-4-ylidene]methyl-oxidanylidene-azanium bromide

Systemtic Name: [1-(3,3-dimethyl-2-oxidanylidene-butyl)pyridin-4-ylidene]methyl-oxidanylidene-azanium bromide Openeye Name: [1-(3,3-dimethyl-2-oxo-butyl)-4-pyridylidene]methyl-oxo-ammonium bromide CAS Name: [1-(3,3-dimethyl-2-oxobutyl)-4-pyridinylidene]methyl-oxoammonium bromide IUPAC Name: [1-(3,3-dimethyl-2-oxobutyl)pyridin-4-ylidene]methyl-oxoazanium bromide Traditional Name: keto-[[1-(2-keto-3,3-dimethyl-butyl)-4-pyridylidene]methyl]ammonium bromide Formula: C12H17BrN2O2 MolecularWeight: 301.17958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CN1C=CC(=C[NH+]=O)C=C1.[Br-]

Isomeric SMILES

CC(C)(C)C(=O)CN1C=CC(=C[NH+]=O)C=C1.[Br-]

InChI

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