5-methyl-1,9-diaza-5-azoniabicyclo[7.3.1]tridecane; 2,4,6-trinitrophenolate

Systemtic Name: 5-methyl-1,9-diaza-5-azoniabicyclo[7.3.1]tridecane; 2,4,6-trinitrophenolate Openeye Name: 5-methyl-1,9-diaza-5-azoniabicyclo[7.3.1]tridecane; 2,4,6-trinitrophenolate CAS Name: 5-methyl-1,9-diaza-5-azoniabicyclo[7.3.1]tridecane; 2,4,6-trinitrophenolate IUPAC Name: 5-methyl-1,9-diaza-5-azoniabicyclo[7.3.1]tridecane; 2,4,6-trinitrophenolate Traditional Name: 5-methyl-1,9-diaza-5-azoniabicyclo[7.3.1]tridecane picrate Formula: C17H26N6O7 MolecularWeight: 426.42434

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN2CCCN(C2)CCC1.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCCN2CCCN(C2)CCC1.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H23N3.C6H3N3O7/c1-12-5-2-7-13-9-4-10-14(11-13)8-3-6-12;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h2-11H2,1H3;1-2,10H