1,3-dimethyl-5-(piperidin-1-ium-4-ylmethyliminomethyl)-1,3-diazinane-2,4,6-trione

Systemtic Name: 1,3-dimethyl-5-(piperidin-1-ium-4-ylmethyliminomethyl)-1,3-diazinane-2,4,6-trione Openeye Name: 1,3-dimethyl-5-(piperidin-1-ium-4-ylmethyliminomethyl)hexahydropyrimidine-2,4,6-trione CAS Name: 1,3-dimethyl-5-(4-piperidin-1-iumylmethyliminomethyl)-1,3-diazinane-2,4,6-trione IUPAC Name: 1,3-dimethyl-5-(piperidin-1-ium-4-ylmethyliminomethyl)-1,3-diazinane-2,4,6-trione Traditional Name: 1,3-dimethyl-5-(piperidin-1-ium-4-ylmethyliminomethyl)barbituric acid Formula: C13H21N4O3+ MolecularWeight: 281.33084

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(C(=O)N(C1=O)C)C=NCC2CC[NH2+]CC2

Isomeric SMILES

CN1C(=O)C(C(=O)N(C1=O)C)C=NCC2CC[NH2+]CC2

InChI

InChI=1S/C13H20N4O3/c1-16-11(18)10(12(19)17(2)13(16)20)8-15-7-9-3-5-14-6-4-9/h8-10,14H,3-7H2,1-2H3/p+1