(5R)-1-hexyl-5-(3-morpholin-4-ium-4-ylpropyliminomethyl)-1,3-diazinane-2,4,6-trione

Systemtic Name: (5R)-1-hexyl-5-(3-morpholin-4-ium-4-ylpropyliminomethyl)-1,3-diazinane-2,4,6-trione Openeye Name: (5R)-1-hexyl-5-(3-morpholin-4-ium-4-ylpropyliminomethyl)hexahydropyrimidine-2,4,6-trione CAS Name: (5R)-1-hexyl-5-[3-(4-morpholin-4-iumyl)propyliminomethyl]-1,3-diazinane-2,4,6-trione IUPAC Name: (5R)-1-hexyl-5-(3-morpholin-4-ium-4-ylpropyliminomethyl)-1,3-diazinane-2,4,6-trione Traditional Name: (5R)-1-hexyl-5-(3-morpholin-4-ium-4-ylpropyliminomethyl)barbituric acid Formula: C18H31N4O4+ MolecularWeight: 367.46314

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C(C(=O)NC1=O)C=NCCC[NH+]2CCOCC2

Isomeric SMILES

CCCCCCN1C(=O)[C@@H](C(=O)NC1=O)C=NCCC[NH+]2CCOCC2

InChI

InChI=1S/C18H30N4O4/c1-2-3-4-5-9-22-17(24)15(16(23)20-18(22)25)14-19-7-6-8-21-10-12-26-13-11-21/h14-15H,2-13H2,1H3,(H,20,23,25)/p+1/t15-/m1/s1