piperidin-1-ium; 4,5,6-tris(bromanyl)-1,3-benzoxazol-2-olate

Systemtic Name: piperidin-1-ium; 4,5,6-tris(bromanyl)-1,3-benzoxazol-2-olate Openeye Name: piperidin-1-ium; 4,5,6-tribromo-1,3-benzoxazol-2-olate CAS Name: piperidin-1-ium; 4,5,6-tribromo-1,3-benzoxazol-2-olate IUPAC Name: piperidin-1-ium; 4,5,6-tribromo-1,3-benzoxazol-2-olate Traditional Name: piperidin-1-ium; 4,5,6-tribromo-1,3-benzoxazol-2-olate Formula: C12H13Br3N2O2 MolecularWeight: 456.95582

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH2+]CC1.C1=C2C(=C(C(=C1Br)Br)Br)N=C(O2)[O-]

Isomeric SMILES

C1CC[NH2+]CC1.C1=C2C(=C(C(=C1Br)Br)Br)N=C(O2)[O-]

InChI

InChI=1S/C7H2Br3NO2.C5H11N/c8-2-1-3-6(5(10)4(2)9)11-7(12)13-3;1-2-4-6-5-3-1/h1H,(H,11,12);6H,1-5H2