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

Systemtic Name: 4-methyl-3-(1-phenylpropan-2-yl)-1,2,3-oxadiazol-3-ium-5-olate Openeye Name: 4-methyl-3-(1-methyl-2-phenyl-ethyl)oxadiazol-3-ium-5-olate CAS Name: 4-methyl-3-(1-phenylpropan-2-yl)-5-oxadiazol-3-iumolate IUPAC Name: 4-methyl-3-(1-phenylpropan-2-yl)oxadiazol-3-ium-5-olate Traditional Name: 4-methyl-3-(1-methyl-2-phenyl-ethyl)oxadiazol-3-ium-5-olate Formula: C12H14N2O2 MolecularWeight: 218.25176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(ON=[N+]1C(C)CC2=CC=CC=C2)[O-]

Isomeric SMILES

CC1=C(ON=[N+]1C(C)CC2=CC=CC=C2)[O-]

InChI

InChI=1S/C12H14N2O2/c1-9(8-11-6-4-3-5-7-11)14-10(2)12(15)16-13-14/h3-7,9H,8H2,1-2H3