2-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)-1-(3-nitrophenyl)ethanone

Systemtic Name: 2-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)-1-(3-nitrophenyl)ethanone Openeye Name: 2-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)-1-(3-nitrophenyl)ethanone CAS Name: 2-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)-1-(3-nitrophenyl)ethanone IUPAC Name: 2-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)-1-(3-nitrophenyl)ethanone Traditional Name: 2-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)-1-(3-nitrophenyl)ethanone Formula: C14H18N3O3+ MolecularWeight: 276.31102

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCN1CC2)CC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1C[N+]2(CCN1CC2)CC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H18N3O3/c18-14(12-2-1-3-13(10-12)16(19)20)11-17-7-4-15(5-8-17)6-9-17/h1-3,10H,4-9,11H2/q+1