(1S,5R)-6-chloranyl-3-methyl-1,5-dinitro-3-azoniabicyclo[3.3.1]non-6-ene

Systemtic Name: (1S,5R)-6-chloranyl-3-methyl-1,5-dinitro-3-azoniabicyclo[3.3.1]non-6-ene Openeye Name: (1S,5R)-6-chloro-3-methyl-1,5-dinitro-3-azoniabicyclo[3.3.1]non-6-ene CAS Name: (1S,5R)-6-chloro-3-methyl-1,5-dinitro-3-azoniabicyclo[3.3.1]non-6-ene IUPAC Name: (1S,5R)-6-chloro-3-methyl-1,5-dinitro-3-azoniabicyclo[3.3.1]non-6-ene Traditional Name: (1S,5R)-6-chloro-3-methyl-1,5-dinitro-3-azoniabicyclo[3.3.1]non-6-ene Formula: C9H13ClN3O4+ MolecularWeight: 262.67022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H12ClN3O4/c1-11-5-8(12(14)15)3-2-7(10)9(4-8,6-11)13(16)17/h2H,3-6H2,1H3/p+1/t8-,9+/m0/s1