[5-nitro-3-(phenylcarbonyl)-3,7-diaza-1-azoniabicyclo[3.3.1]nonan-7-yl]-phenyl-methanone

Systemtic Name: [5-nitro-3-(phenylcarbonyl)-3,7-diaza-1-azoniabicyclo[3.3.1]nonan-7-yl]-phenyl-methanone Openeye Name: (3-benzoyl-5-nitro-3,7-diaza-1-azoniabicyclo[3.3.1]nonan-7-yl)-phenyl-methanone CAS Name: (3-benzoyl-5-nitro-3,7-diaza-1-azoniabicyclo[3.3.1]nonan-7-yl)-phenylmethanone IUPAC Name: (3-benzoyl-5-nitro-3,7-diaza-1-azoniabicyclo[3.3.1]nonan-7-yl)-phenylmethanone Traditional Name: (3-benzoyl-5-nitro-3,7-diaza-1-azoniabicyclo[3.3.1]nonan-7-yl)-phenyl-methanone Formula: C20H21N4O4+ MolecularWeight: 381.40514

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Descriptors Computed from Structure

Canonical SMILES:

C1C2(CN(C[NH+]1CN(C2)C(=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1C2(CN(C[NH+]1CN(C2)C(=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O4/c25-18(16-7-3-1-4-8-16)22-12-20(24(27)28)11-21(14-22)15-23(13-20)19(26)17-9-5-2-6-10-17/h1-10H,11-15H2/p+1