[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxidanylidene-ethyl] 3-azanylpyrazin-4-ium-2-carboxylate

Systemtic Name: [2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxidanylidene-ethyl] 3-azanylpyrazin-4-ium-2-carboxylate Openeye Name: [2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxo-ethyl] 3-aminopyrazin-4-ium-2-carboxylate CAS Name: 3-amino-2-pyrazin-4-iumcarboxylic acid [2-[(2S,6S)-2,6-dimethyl-4-morpholinyl]-2-oxoethyl] ester IUPAC Name: [2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 3-aminopyrazin-4-ium-2-carboxylate Traditional Name: 3-aminopyrazin-4-ium-2-carboxylic acid [2-[(2S,6S)-2,6-dimethylmorpholino]-2-keto-ethyl] ester Formula: C13H19N4O4+ MolecularWeight: 295.31436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)C(=O)COC(=O)C2=NC=C[NH+]=C2N

Isomeric SMILES

C[C@H]1CN(C[C@@H](O1)C)C(=O)COC(=O)C2=NC=C[NH+]=C2N

InChI

InChI=1S/C13H18N4O4/c1-8-5-17(6-9(2)21-8)10(18)7-20-13(19)11-12(14)16-4-3-15-11/h3-4,8-9H,5-7H2,1-2H3,(H2,14,16)/p+1/t8-,9-/m0/s1