(1S,5R)-3-butyl-1,5-dinitro-3-azoniabicyclo[3.3.1]nonan-7-one

Systemtic Name: (1S,5R)-3-butyl-1,5-dinitro-3-azoniabicyclo[3.3.1]nonan-7-one Openeye Name: (1S,5R)-3-butyl-1,5-dinitro-3-azoniabicyclo[3.3.1]nonan-7-one CAS Name: (1S,5R)-3-butyl-1,5-dinitro-3-azoniabicyclo[3.3.1]nonan-7-one IUPAC Name: (1S,5R)-3-butyl-1,5-dinitro-3-azoniabicyclo[3.3.1]nonan-7-one Traditional Name: (1S,5R)-3-butyl-1,5-dinitro-3-azoniabicyclo[3.3.1]nonan-7-one Formula: C12H20N3O5+ MolecularWeight: 286.3043

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+]1CC2(CC(=O)CC(C2)(C1)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCC[NH+]1C[C@]2(CC(=O)C[C@](C2)(C1)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H19N3O5/c1-2-3-4-13-8-11(14(17)18)5-10(16)6-12(7-11,9-13)15(19)20/h2-9H2,1H3/p+1/t11-,12+