3,3-dimethyl-1,5-dinitro-6-phenoxy-3-azoniabicyclo[3.3.1]non-6-ene

Systemtic Name: 3,3-dimethyl-1,5-dinitro-6-phenoxy-3-azoniabicyclo[3.3.1]non-6-ene Openeye Name: 3,3-dimethyl-1,5-dinitro-6-phenoxy-3-azoniabicyclo[3.3.1]non-6-ene CAS Name: 3,3-dimethyl-1,5-dinitro-6-phenoxy-3-azoniabicyclo[3.3.1]non-6-ene IUPAC Name: 3,3-dimethyl-1,5-dinitro-6-phenoxy-3-azoniabicyclo[3.3.1]non-6-ene Traditional Name: 3,3-dimethyl-1,5-dinitro-6-phenoxy-3-azoniabicyclo[3.3.1]non-6-ene Formula: C16H20N3O5+ MolecularWeight: 334.3471

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CC2(CC=C(C(C2)(C1)[N+](=O)[O-])OC3=CC=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

C[N+]1(CC2(CC=C(C(C2)(C1)[N+](=O)[O-])OC3=CC=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C16H20N3O5/c1-19(2)11-15(17(20)21)9-8-14(16(10-15,12-19)18(22)23)24-13-6-4-3-5-7-13/h3-8H,9-12H2,1-2H3/q+1