(5R)-1-butyl-5-[C-methyl-N-(3-piperidin-1-ium-1-ylpropyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione

Systemtic Name: (5R)-1-butyl-5-[C-methyl-N-(3-piperidin-1-ium-1-ylpropyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione Openeye Name: (5R)-1-butyl-5-[C-methyl-N-(3-piperidin-1-ium-1-ylpropyl)carbonimidoyl]hexahydropyrimidine-2,4,6-trione CAS Name: (5R)-1-butyl-5-[1-[3-(1-piperidin-1-iumyl)propylimino]ethyl]-1,3-diazinane-2,4,6-trione IUPAC Name: (5R)-1-butyl-5-[C-methyl-N-(3-piperidin-1-ium-1-ylpropyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione Traditional Name: (5R)-1-butyl-5-[C-methyl-N-(3-piperidin-1-ium-1-ylpropyl)carbonimidoyl]barbituric acid Formula: C18H31N4O3+ MolecularWeight: 351.46374

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C(C(=O)NC1=O)C(=NCCC[NH+]2CCCCC2)C

Isomeric SMILES

CCCCN1C(=O)[C@@H](C(=O)NC1=O)C(=NCCC[NH+]2CCCCC2)C

InChI

InChI=1S/C18H30N4O3/c1-3-4-13-22-17(24)15(16(23)20-18(22)25)14(2)19-9-8-12-21-10-6-5-7-11-21/h15H,3-13H2,1-2H3,(H,20,23,25)/p+1/t15-/m1/s1