4-octyl-1-oxidanidyl-4-aza-1-azoniabicyclo[3.1.1]heptane-6,7-dione

Systemtic Name: 4-octyl-1-oxidanidyl-4-aza-1-azoniabicyclo[3.1.1]heptane-6,7-dione Openeye Name: 4-octyl-1-oxido-4-aza-1-azoniabicyclo[3.1.1]heptane-6,7-dione CAS Name: 4-octyl-1-oxido-4-aza-1-azoniabicyclo[3.1.1]heptane-6,7-dione IUPAC Name: 4-octyl-1-oxido-4-aza-1-azoniabicyclo[3.1.1]heptane-6,7-dione Traditional Name: 4-octyl-1-oxido-4-aza-1-azoniabicyclo[3.1.1]heptane-6,7-quinone Formula: C13H22N2O3 MolecularWeight: 254.32538

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1CC[N+]2(C(=O)C1C2=O)[O-]

Isomeric SMILES

CCCCCCCCN1CC[N+]2(C(=O)C1C2=O)[O-]

InChI

InChI=1S/C13H22N2O3/c1-2-3-4-5-6-7-8-14-9-10-15(18)12(16)11(14)13(15)17/h11H,2-10H2,1H3