(5S)-5-(2-morpholin-4-ium-4-ylethyliminomethyl)-1-prop-2-enyl-1,3-diazinane-2,4,6-trione

Systemtic Name: (5S)-5-(2-morpholin-4-ium-4-ylethyliminomethyl)-1-prop-2-enyl-1,3-diazinane-2,4,6-trione Openeye Name: (5S)-1-allyl-5-(2-morpholin-4-ium-4-ylethyliminomethyl)hexahydropyrimidine-2,4,6-trione CAS Name: (5S)-5-[2-(4-morpholin-4-iumyl)ethyliminomethyl]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione IUPAC Name: (5S)-5-(2-morpholin-4-ium-4-ylethyliminomethyl)-1-prop-2-enyl-1,3-diazinane-2,4,6-trione Traditional Name: (5S)-1-allyl-5-(2-morpholin-4-ium-4-ylethyliminomethyl)barbituric acid Formula: C14H21N4O4+ MolecularWeight: 309.34094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C(C(=O)NC1=O)C=NCC[NH+]2CCOCC2

Isomeric SMILES

C=CCN1C(=O)[C@H](C(=O)NC1=O)C=NCC[NH+]2CCOCC2

InChI

InChI=1S/C14H20N4O4/c1-2-4-18-13(20)11(12(19)16-14(18)21)10-15-3-5-17-6-8-22-9-7-17/h2,10-11H,1,3-9H2,(H,16,19,21)/p+1/t11-/m0/s1