6-azanyl-1-butyl-5,5-diethyl-3-methyl-pyrimidin-1-ium-2,4-dione chloride

Systemtic Name: 6-azanyl-1-butyl-5,5-diethyl-3-methyl-pyrimidin-1-ium-2,4-dione chloride Openeye Name: 6-amino-1-butyl-5,5-diethyl-3-methyl-pyrimidin-1-ium-2,4-dione chloride CAS Name: 6-amino-1-butyl-5,5-diethyl-3-methylpyrimidin-1-ium-2,4-dione chloride IUPAC Name: 6-amino-1-butyl-5,5-diethyl-3-methylpyrimidin-1-ium-2,4-dione chloride Traditional Name: 6-amino-1-butyl-5,5-diethyl-3-methyl-pyrimidin-1-ium-2,4-quinone chloride Formula: C13H24ClN3O2 MolecularWeight: 289.80156

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=C(C(C(=O)N(C1=O)C)(CC)CC)N.[Cl-]

Isomeric SMILES

CCCC[N+]1=C(C(C(=O)N(C1=O)C)(CC)CC)N.[Cl-]

InChI

InChI=1S/C13H23N3O2.ClH/c1-5-8-9-16-10(14)13(6-2,7-3)11(17)15(4)12(16)18;/h14H,5-9H2,1-4H3;1H