4-(hydroxymethyl)-2-oxidanidyl-N-[(1R)-1-phenylethyl]-1,2,5-oxadiazol-2-ium-3-carboxamide

Systemtic Name: 4-(hydroxymethyl)-2-oxidanidyl-N-[(1R)-1-phenylethyl]-1,2,5-oxadiazol-2-ium-3-carboxamide Openeye Name: 4-(hydroxymethyl)-2-oxido-N-[(1R)-1-phenylethyl]-1,2,5-oxadiazol-2-ium-3-carboxamide CAS Name: 4-(hydroxymethyl)-2-oxido-N-[(1R)-1-phenylethyl]-1,2,5-oxadiazol-2-ium-3-carboxamide IUPAC Name: 4-(hydroxymethyl)-2-oxido-N-[(1R)-1-phenylethyl]-1,2,5-oxadiazol-2-ium-3-carboxamide Traditional Name: 4-methylol-2-oxido-N-[(1R)-1-phenylethyl]furazan-2-ium-3-carboxamide Formula: C12H13N3O4 MolecularWeight: 263.24932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C2=[N+](ON=C2CO)[O-]

Isomeric SMILES

C[C@H](C1=CC=CC=C1)NC(=O)C2=[N+](ON=C2CO)[O-]

InChI

InChI=1S/C12H13N3O4/c1-8(9-5-3-2-4-6-9)13-12(17)11-10(7-16)14-19-15(11)18/h2-6,8,16H,7H2,1H3,(H,13,17)/t8-/m1/s1