4-methyl-1-azoniabicyclo[2.2.1]heptane; 2,4,6-trinitrophenolate

Systemtic Name: 4-methyl-1-azoniabicyclo[2.2.1]heptane; 2,4,6-trinitrophenolate Openeye Name: 4-methyl-1-azoniabicyclo[2.2.1]heptane; 2,4,6-trinitrophenolate CAS Name: 4-methyl-1-azoniabicyclo[2.2.1]heptane; 2,4,6-trinitrophenolate IUPAC Name: 4-methyl-1-azoniabicyclo[2.2.1]heptane; 2,4,6-trinitrophenolate Traditional Name: 4-methyl-1-azoniabicyclo[2.2.1]heptane picrate Formula: C13H16N4O7 MolecularWeight: 340.28874

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC[NH+](C1)CC2.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC12CC[NH+](C1)CC2.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C7H13N.C6H3N3O7/c1-7-2-4-8(6-7)5-3-7;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h2-6H2,1H3;1-2,10H