1-[3-ethanoyl-5-(4-nitrophenyl)carbonyl-3,7-diaza-1-azoniabicyclo[3.3.1]nonan-7-yl]ethanone

Systemtic Name: 1-[3-ethanoyl-5-(4-nitrophenyl)carbonyl-3,7-diaza-1-azoniabicyclo[3.3.1]nonan-7-yl]ethanone Openeye Name: 1-[3-acetyl-5-(4-nitrobenzoyl)-3,7-diaza-1-azoniabicyclo[3.3.1]nonan-7-yl]ethanone CAS Name: 1-[3-acetyl-5-[(4-nitrophenyl)-oxomethyl]-3,7-diaza-1-azoniabicyclo[3.3.1]nonan-7-yl]ethanone IUPAC Name: 1-[3-acetyl-5-(4-nitrobenzoyl)-3,7-diaza-1-azoniabicyclo[3.3.1]nonan-7-yl]ethanone Traditional Name: 1-[3-acetyl-5-(4-nitrobenzoyl)-3,7-diaza-1-azoniabicyclo[3.3.1]nonan-7-yl]ethanone Formula: C17H21N4O5+ MolecularWeight: 361.37244

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC2(C[NH+](C1)CN(C2)C(=O)C)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CC2(C[NH+](C1)CN(C2)C(=O)C)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H20N4O5/c1-12(22)19-8-17(7-18(10-19)11-20(9-17)13(2)23)16(24)14-3-5-15(6-4-14)21(25)26/h3-6H,7-11H2,1-2H3/p+1