[1-[2-(tert-butylamino)-2-oxidanylidene-ethyl]pyridin-4-ylidene]methyl-oxidanylidene-azanium chloride

Systemtic Name: [1-[2-(tert-butylamino)-2-oxidanylidene-ethyl]pyridin-4-ylidene]methyl-oxidanylidene-azanium chloride Openeye Name: [1-[2-(tert-butylamino)-2-oxo-ethyl]-4-pyridylidene]methyl-oxo-ammonium chloride CAS Name: [1-[2-(tert-butylamino)-2-oxoethyl]-4-pyridinylidene]methyl-oxoammonium chloride IUPAC Name: [1-[2-(tert-butylamino)-2-oxoethyl]pyridin-4-ylidene]methyl-oxoazanium chloride Traditional Name: [1-[2-(tert-butylamino)-2-keto-ethyl]-4-pyridylidene]methyl-keto-ammonium chloride Formula: C12H18ClN3O2 MolecularWeight: 271.74322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3O2.ClH/c1-12(2,3)14-11(16)9-15-6-4-10(5-7-15)8-13-17;/h4-8H,9H2,1-3H3,(H,14,16);1H