1-[(2-nitrophenyl)methyl]-1-azoniabicyclo[2.2.2]octan-3-one

Systemtic Name: 1-[(2-nitrophenyl)methyl]-1-azoniabicyclo[2.2.2]octan-3-one Openeye Name: 1-[(2-nitrophenyl)methyl]quinuclidin-1-ium-3-one CAS Name: 1-[(2-nitrophenyl)methyl]-1-azoniabicyclo[2.2.2]octan-3-one IUPAC Name: 1-[(2-nitrophenyl)methyl]-1-azoniabicyclo[2.2.2]octan-3-one Traditional Name: 1-(2-nitrobenzyl)quinuclidin-1-ium-3-one Formula: C14H17N2O3+ MolecularWeight: 261.29638

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCC1C(=O)C2)CC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1C[N+]2(CCC1C(=O)C2)CC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C14H17N2O3/c17-14-10-16(7-5-11(14)6-8-16)9-12-3-1-2-4-13(12)15(18)19/h1-4,11H,5-10H2/q+1