(1R,5S,9R)-7-ethyl-1,5-dinitro-9-phenacyl-7-azoniabicyclo[3.3.1]non-2-en-4-one

Systemtic Name: (1R,5S,9R)-7-ethyl-1,5-dinitro-9-phenacyl-7-azoniabicyclo[3.3.1]non-2-en-4-one Openeye Name: (1R,5S,9R)-7-ethyl-1,5-dinitro-9-phenacyl-7-azoniabicyclo[3.3.1]non-2-en-4-one CAS Name: (1R,5S,9R)-7-ethyl-1,5-dinitro-9-phenacyl-7-azoniabicyclo[3.3.1]non-2-en-4-one IUPAC Name: (1R,5S,9R)-7-ethyl-1,5-dinitro-9-phenacyl-7-azoniabicyclo[3.3.1]non-2-en-4-one Traditional Name: (1R,5S,9R)-7-ethyl-1,5-dinitro-9-phenacyl-7-azoniabicyclo[3.3.1]non-2-en-4-one Formula: C18H20N3O6+ MolecularWeight: 374.3679

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CC2(C=CC(=O)C(C1)(C2CC(=O)C3=CC=CC=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC[NH+]1C[C@]2(C=CC(=O)[C@@](C1)([C@@H]2CC(=O)C3=CC=CC=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O6/c1-2-19-11-17(20(24)25)9-8-16(23)18(12-19,21(26)27)15(17)10-14(22)13-6-4-3-5-7-13/h3-9,15H,2,10-12H2,1H3/p+1/t15-,17+,18-/m1/s1