(E)-4,4-dimethyl-1-pyridin-4-yl-pent-1-en-3-one hydrochloride

Systemtic Name: (E)-4,4-dimethyl-1-pyridin-4-yl-pent-1-en-3-one hydrochloride Openeye Name: (E)-4,4-dimethyl-1-(4-pyridyl)pent-1-en-3-one hydrochloride CAS Name: (E)-4,4-dimethyl-1-pyridin-4-yl-1-penten-3-one hydrochloride IUPAC Name: (E)-4,4-dimethyl-1-pyridin-4-ylpent-1-en-3-one hydrochloride Traditional Name: (E)-4,4-dimethyl-1-(4-pyridyl)pent-1-en-3-one hydrochloride Formula: C12H16ClNO MolecularWeight: 225.71454

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C=CC1=CC=NC=C1.Cl

Isomeric SMILES

CC(C)(C)C(=O)/C=C/C1=CC=NC=C1.Cl

InChI

InChI=1S/C12H15NO.ClH/c1-12(2,3)11(14)5-4-10-6-8-13-9-7-10;/h4-9H,1-3H3;1H/b5-4+;