5-methyl-1-aza-5-azoniabicyclo[3.2.2]nonane; 2,4,6-trinitrophenol; bromide; hydrobromide

Systemtic Name: 5-methyl-1-aza-5-azoniabicyclo[3.2.2]nonane; 2,4,6-trinitrophenol; bromide; hydrobromide Openeye Name: 5-methyl-1-aza-5-azoniabicyclo[3.2.2]nonane; picric acid; bromide; hydrobromide CAS Name: 5-methyl-1-aza-5-azoniabicyclo[3.2.2]nonane; 2,4,6-trinitrophenol; bromide; hydrobromide IUPAC Name: 5-methyl-1-aza-5-azoniabicyclo[3.2.2]nonane; 2,4,6-trinitrophenol; bromide; hydrobromide Traditional Name: 5-methyl-1-aza-5-azoniabicyclo[3.2.2]nonane; picric acid; bromide; hydrobromide Formula: C14H21Br2N5O7 MolecularWeight: 531.15384

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]12CCCN(CC1)CC2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-].Br.[Br-]

Isomeric SMILES

C[N+]12CCCN(CC1)CC2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-].Br.[Br-]

InChI

InChI=1S/C8H17N2.C6H3N3O7.2BrH/c1-10-6-2-3-9(4-7-10)5-8-10;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16;;/h2-8H2,1H3;1-2,10H;2*1H/q+1;;;/p-1