(E)-[4-(2-methylpropyl)-3-phenethyl-1,2,3-oxadiazol-3-ium-5-yl]-oxidanidyl-diazene

Systemtic Name: (E)-[4-(2-methylpropyl)-3-phenethyl-1,2,3-oxadiazol-3-ium-5-yl]-oxidanidyl-diazene Openeye Name: (E)-(4-isobutyl-3-phenethyl-oxadiazol-3-ium-5-yl)-oxido-diazene CAS Name: (E)-[4-(2-methylpropyl)-3-phenethyl-5-oxadiazol-3-iumyl]-oxidodiazene IUPAC Name: (E)-[4-(2-methylpropyl)-3-phenethyloxadiazol-3-ium-5-yl]-oxidodiazene Traditional Name: (E)-(4-isobutyl-3-phenethyl-oxadiazol-3-ium-5-yl)-oxido-diazene Formula: C14H18N4O2 MolecularWeight: 274.31832

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(ON=[N+]1CCC2=CC=CC=C2)N=N[O-]

Isomeric SMILES

CC(C)CC1=C(ON=[N+]1CCC2=CC=CC=C2)/N=N/[O-]

InChI

InChI=1S/C14H18N4O2/c1-11(2)10-13-14(15-16-19)20-17-18(13)9-8-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3