3-dodecyl-2-methyl-3,5,6-tris(oxidanyl)-1H-pyrimidin-3-ium-2-id-4-one

Systemtic Name: 3-dodecyl-2-methyl-3,5,6-tris(oxidanyl)-1H-pyrimidin-3-ium-2-id-4-one Openeye Name: 3-dodecyl-3,5,6-trihydroxy-2-methyl-1H-pyrimidin-3-ium-2-id-4-one CAS Name: 3-dodecyl-3,5,6-trihydroxy-2-methyl-1H-pyrimidin-3-ium-2-id-4-one IUPAC Name: 3-dodecyl-3,5,6-trihydroxy-2-methyl-1H-pyrimidin-3-ium-2-id-4-one Traditional Name: 3,5,6-trihydroxy-3-lauryl-2-methyl-1H-pyrimidin-3-ium-2-id-4-one Formula: C17H32N2O4 MolecularWeight: 328.44698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+]1([C-](NC(=C(C1=O)O)O)C)O

Isomeric SMILES

CCCCCCCCCCCC[N+]1([C-](NC(=C(C1=O)O)O)C)O

InChI

InChI=1S/C17H32N2O4/c1-3-4-5-6-7-8-9-10-11-12-13-19(23)14(2)18-16(21)15(20)17(19)22/h20,23H,3-13H2,1-2H3,(H2,18,21,22)