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

Systemtic Name: 5-butyl-6-methyl-3-pentyl-5H-pyrimidin-1-ium-2,4-dione Openeye Name: 5-butyl-6-methyl-3-pentyl-5H-pyrimidin-1-ium-2,4-dione CAS Name: 5-butyl-6-methyl-3-pentyl-5H-pyrimidin-1-ium-2,4-dione IUPAC Name: 5-butyl-6-methyl-3-pentyl-5H-pyrimidin-1-ium-2,4-dione Traditional Name: 3-amyl-5-butyl-6-methyl-5H-pyrimidin-1-ium-2,4-quinone Formula: C14H25N2O2+ MolecularWeight: 253.3605

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C(C(=[NH+]C1=O)C)CCCC

Isomeric SMILES

CCCCCN1C(=O)C(C(=[NH+]C1=O)C)CCCC

InChI

InChI=1S/C14H24N2O2/c1-4-6-8-10-16-13(17)12(9-7-5-2)11(3)15-14(16)18/h12H,4-10H2,1-3H3/p+1