4-(2-azanylethanoyl)-3-(1-phenylpropan-2-yl)-1,2,3-oxadiazol-3-ium-5-olate

Systemtic Name: 4-(2-azanylethanoyl)-3-(1-phenylpropan-2-yl)-1,2,3-oxadiazol-3-ium-5-olate Openeye Name: 4-(2-aminoacetyl)-3-(1-methyl-2-phenyl-ethyl)oxadiazol-3-ium-5-olate CAS Name: 4-(2-amino-1-oxoethyl)-3-(1-phenylpropan-2-yl)-5-oxadiazol-3-iumolate IUPAC Name: 4-(2-aminoacetyl)-3-(1-phenylpropan-2-yl)oxadiazol-3-ium-5-olate Traditional Name: 4-glycyl-3-(1-methyl-2-phenyl-ethyl)oxadiazol-3-ium-5-olate Formula: C13H15N3O3 MolecularWeight: 261.2765

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)[N+]2=NOC(=C2C(=O)CN)[O-]

Isomeric SMILES

CC(CC1=CC=CC=C1)[N+]2=NOC(=C2C(=O)CN)[O-]

InChI

InChI=1S/C13H15N3O3/c1-9(7-10-5-3-2-4-6-10)16-12(11(17)8-14)13(18)19-15-16/h2-6,9H,7-8,14H2,1H3