1,1-dimethylpiperidin-1-ium; 2,4,6-trinitrophenolate

Systemtic Name: 1,1-dimethylpiperidin-1-ium; 2,4,6-trinitrophenolate Openeye Name: 1,1-dimethylpiperidin-1-ium; 2,4,6-trinitrophenolate CAS Name: 1,1-dimethylpiperidin-1-ium; 2,4,6-trinitrophenolate IUPAC Name: 1,1-dimethylpiperidin-1-ium; 2,4,6-trinitrophenolate Traditional Name: 1,1-dimethylpiperidin-1-ium picrate Formula: C13H18N4O7 MolecularWeight: 342.30462

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1)C.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C[N+]1(CCCCC1)C.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C7H16N.C6H3N3O7/c1-8(2)6-4-3-5-7-8;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3-7H2,1-2H3;1-2,10H/q+1;/p-1