(5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl)-pyridin-4-yl-azanium chloride

Systemtic Name: (5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl)-pyridin-4-yl-azanium chloride Openeye Name: (5,5-dimethyl-3-oxo-cyclohexen-1-yl)-(4-pyridyl)ammonium chloride CAS Name: (5,5-dimethyl-3-oxo-1-cyclohexenyl)-pyridin-4-ylammonium chloride IUPAC Name: (5,5-dimethyl-3-oxocyclohexen-1-yl)-pyridin-4-ylazanium chloride Traditional Name: (3-keto-5,5-dimethyl-cyclohexen-1-yl)-(4-pyridyl)ammonium chloride Formula: C13H17ClN2O MolecularWeight: 252.73988

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=CC(=O)C1)[NH2+]C2=CC=NC=C2)C.[Cl-]

Isomeric SMILES

CC1(CC(=CC(=O)C1)[NH2+]C2=CC=NC=C2)C.[Cl-]

InChI

InChI=1S/C13H16N2O.ClH/c1-13(2)8-11(7-12(16)9-13)15-10-3-5-14-6-4-10;/h3-7H,8-9H2,1-2H3,(H,14,15);1H