1-(5-nitro-3-propanoyl-3,7-diaza-1-azoniabicyclo[3.3.1]nonan-7-yl)propan-1-one

Systemtic Name: 1-(5-nitro-3-propanoyl-3,7-diaza-1-azoniabicyclo[3.3.1]nonan-7-yl)propan-1-one Openeye Name: 1-(5-nitro-3-propanoyl-3,7-diaza-1-azoniabicyclo[3.3.1]nonan-7-yl)propan-1-one CAS Name: 1-[5-nitro-3-(1-oxopropyl)-3,7-diaza-1-azoniabicyclo[3.3.1]nonan-7-yl]-1-propanone IUPAC Name: 1-(5-nitro-3-propanoyl-3,7-diaza-1-azoniabicyclo[3.3.1]nonan-7-yl)propan-1-one Traditional Name: 1-(5-nitro-3-propionyl-3,7-diaza-1-azoniabicyclo[3.3.1]nonan-7-yl)propan-1-one Formula: C12H21N4O4+ MolecularWeight: 285.31954

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CC2(C[NH+](C1)CN(C2)C(=O)CC)[N+](=O)[O-]

Isomeric SMILES

CCC(=O)N1CC2(C[NH+](C1)CN(C2)C(=O)CC)[N+](=O)[O-]

InChI

InChI=1S/C12H20N4O4/c1-3-10(17)14-6-12(16(19)20)5-13(8-14)9-15(7-12)11(18)4-2/h3-9H2,1-2H3/p+1