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

Systemtic Name: (5R)-1-hexyl-5-(2-morpholin-4-ium-4-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione Openeye Name: (5R)-1-hexyl-5-(2-morpholin-4-ium-4-ylethyliminomethyl)hexahydropyrimidine-2,4,6-trione CAS Name: (5R)-1-hexyl-5-[2-(4-morpholin-4-iumyl)ethyliminomethyl]-1,3-diazinane-2,4,6-trione IUPAC Name: (5R)-1-hexyl-5-(2-morpholin-4-ium-4-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione Traditional Name: (5R)-1-hexyl-5-(2-morpholin-4-ium-4-ylethyliminomethyl)barbituric acid Formula: C17H29N4O4+ MolecularWeight: 353.43656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N4O4/c1-2-3-4-5-7-21-16(23)14(15(22)19-17(21)24)13-18-6-8-20-9-11-25-12-10-20/h13-14H,2-12H2,1H3,(H,19,22,24)/p+1/t14-/m1/s1