1,3-dimethyl-5-[(3S)-piperidin-1-ium-3-yl]carbonyl-pyrimidine-2,4-dione

Systemtic Name: 1,3-dimethyl-5-[(3S)-piperidin-1-ium-3-yl]carbonyl-pyrimidine-2,4-dione Openeye Name: 1,3-dimethyl-5-[(3S)-piperidin-1-ium-3-carbonyl]pyrimidine-2,4-dione CAS Name: 1,3-dimethyl-5-[oxo-[(3S)-3-piperidin-1-iumyl]methyl]pyrimidine-2,4-dione IUPAC Name: 1,3-dimethyl-5-[(3S)-piperidin-1-ium-3-carbonyl]pyrimidine-2,4-dione Traditional Name: 1,3-dimethyl-5-[(3S)-piperidin-1-ium-3-carbonyl]pyrimidine-2,4-quinone Formula: C12H18N3O3+ MolecularWeight: 252.28962

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)N(C1=O)C)C(=O)C2CCC[NH2+]C2

Isomeric SMILES

CN1C=C(C(=O)N(C1=O)C)C(=O)[C@H]2CCC[NH2+]C2

InChI

InChI=1S/C12H17N3O3/c1-14-7-9(11(17)15(2)12(14)18)10(16)8-4-3-5-13-6-8/h7-8,13H,3-6H2,1-2H3/p+1/t8-/m0/s1