(1S,5R)-1,5-dinitro-3-aza-7-azoniabicyclo[3.3.1]nonane

Systemtic Name: (1S,5R)-1,5-dinitro-3-aza-7-azoniabicyclo[3.3.1]nonane Openeye Name: (1S,5R)-1,5-dinitro-3-aza-7-azoniabicyclo[3.3.1]nonane CAS Name: (1S,5R)-1,5-dinitro-3-aza-7-azoniabicyclo[3.3.1]nonane IUPAC Name: (1S,5R)-1,5-dinitro-3-aza-7-azoniabicyclo[3.3.1]nonane Traditional Name: (1S,5R)-1,5-dinitro-3-aza-7-azoniabicyclo[3.3.1]nonane Formula: C7H13N4O4+ MolecularWeight: 217.20252

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Descriptors Computed from Structure

Canonical SMILES:

C1C2(C[NH2+]CC1(CNC2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1[C@]2(C[NH2+]C[C@@]1(CNC2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C7H12N4O4/c12-10(13)6-1-7(11(14)15,4-8-2-6)5-9-3-6/h8-9H,1-5H2/p+1/t6-,7+