1-aza-4-azoniabicyclo[2.2.2]octan-4-ylmethyl benzoate

Systemtic Name: 1-aza-4-azoniabicyclo[2.2.2]octan-4-ylmethyl benzoate Openeye Name: 1-aza-4-azoniabicyclo[2.2.2]octan-4-ylmethyl benzoate CAS Name: benzoic acid 1-aza-4-azoniabicyclo[2.2.2]octan-4-ylmethyl ester IUPAC Name: 1-aza-4-azoniabicyclo[2.2.2]octan-4-ylmethyl benzoate Traditional Name: benzoic acid 1-aza-4-azoniabicyclo[2.2.2]octan-4-ylmethyl ester Formula: C14H19N2O2+ MolecularWeight: 247.31286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N2O2/c17-14(13-4-2-1-3-5-13)18-12-16-9-6-15(7-10-16)8-11-16/h1-5H,6-12H2/q+1