5-butyl-6-methyl-3-propyl-5H-pyrimidin-1-ium-2,4-dione

Systemtic Name: 5-butyl-6-methyl-3-propyl-5H-pyrimidin-1-ium-2,4-dione Openeye Name: 5-butyl-6-methyl-3-propyl-5H-pyrimidin-1-ium-2,4-dione CAS Name: 5-butyl-6-methyl-3-propyl-5H-pyrimidin-1-ium-2,4-dione IUPAC Name: 5-butyl-6-methyl-3-propyl-5H-pyrimidin-1-ium-2,4-dione Traditional Name: 5-butyl-6-methyl-3-propyl-5H-pyrimidin-1-ium-2,4-quinone Formula: C12H21N2O2+ MolecularWeight: 225.30734

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(=[NH+]C(=O)N(C1=O)CCC)C

Isomeric SMILES

CCCCC1C(=[NH+]C(=O)N(C1=O)CCC)C

InChI

InChI=1S/C12H20N2O2/c1-4-6-7-10-9(3)13-12(16)14(8-5-2)11(10)15/h10H,4-8H2,1-3H3/p+1