1-[3-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]-3,3-dimethyl-butan-2-one

Systemtic Name: 1-[3-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]-3,3-dimethyl-butan-2-one Openeye Name: (3E)-1-(3,3-dimethyl-2-oxo-butyl)pyridin-1-ium-3-carbaldehyde oxime CAS Name: (3E)-1-(3,3-dimethyl-2-oxobutyl)-3-pyridin-1-iumcarboxaldehyde oxime IUPAC Name: 1-[3-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]-3,3-dimethylbutan-2-one Traditional Name: (3E)-1-(2-keto-3,3-dimethyl-butyl)pyridin-1-ium-3-carbaldehyde oxime Formula: C12H17N2O2+ MolecularWeight: 221.27558

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C[N+]1=CC=CC(=C1)C=NO

Isomeric SMILES

CC(C)(C)C(=O)C[N+]1=CC=CC(=C1)/C=N/O

InChI

InChI=1S/C12H16N2O2/c1-12(2,3)11(15)9-14-6-4-5-10(8-14)7-13-16/h4-8H,9H2,1-3H3/p+1/b13-7+