N,N-dimethyl-1-oxidanidyl-piperidin-1-ium-4-amine; 2,4,6-trinitrobenzene-1,3-diol

Systemtic Name: N,N-dimethyl-1-oxidanidyl-piperidin-1-ium-4-amine; 2,4,6-trinitrobenzene-1,3-diol Openeye Name: N,N-dimethyl-1-oxido-piperidin-1-ium-4-amine; 2,4,6-trinitrobenzene-1,3-diol CAS Name: N,N-dimethyl-1-oxido-4-piperidin-1-iumamine; 2,4,6-trinitrobenzene-1,3-diol IUPAC Name: N,N-dimethyl-1-oxidopiperidin-1-ium-4-amine; 2,4,6-trinitrobenzene-1,3-diol Traditional Name: dimethyl-(1-oxidopiperidin-1-ium-4-yl)amine; 2,4,6-trinitroresorcinol Formula: C13H19N5O9 MolecularWeight: 389.31806

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1CC[NH+](CC1)[O-].C1=C(C(=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])O)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1CC[NH+](CC1)[O-].C1=C(C(=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])O)[N+](=O)[O-]

InChI

InChI=1S/C7H16N2O.C6H3N3O8/c1-8(2)7-3-5-9(10)6-4-7;10-5-2(7(12)13)1-3(8(14)15)6(11)4(5)9(16)17/h7,9H,3-6H2,1-2H3;1,10-11H