3,5-dimethyl-2-[oxidanyl(pyridin-3-yl)methyl]cyclohexa-2,5-diene-1,4-dione hydrochloride

Systemtic Name: 3,5-dimethyl-2-[oxidanyl(pyridin-3-yl)methyl]cyclohexa-2,5-diene-1,4-dione hydrochloride Openeye Name: 2-[hydroxy(3-pyridyl)methyl]-3,5-dimethyl-1,4-benzoquinone hydrochloride CAS Name: 2-[hydroxy(3-pyridinyl)methyl]-3,5-dimethylcyclohexa-2,5-diene-1,4-dione hydrochloride IUPAC Name: 2-[hydroxy(pyridin-3-yl)methyl]-3,5-dimethylcyclohexa-2,5-diene-1,4-dione hydrochloride Traditional Name: 2-[hydroxy(3-pyridyl)methyl]-3,5-dimethyl-p-benzoquinone hydrochloride Formula: C14H14ClNO3 MolecularWeight: 279.71886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C(C1=O)C)C(C2=CN=CC=C2)O.Cl

Isomeric SMILES

CC1=CC(=O)C(=C(C1=O)C)C(C2=CN=CC=C2)O.Cl

InChI

InChI=1S/C14H13NO3.ClH/c1-8-6-11(16)12(9(2)13(8)17)14(18)10-4-3-5-15-7-10;/h3-7,14,18H,1-2H3;1H