ethyl 1-ethyl-6-oxidanylidene-2-(phenylmethoxymethyl)-1-azoniabicyclo[3.3.1]nonane-7-carboxylate

Systemtic Name: ethyl 1-ethyl-6-oxidanylidene-2-(phenylmethoxymethyl)-1-azoniabicyclo[3.3.1]nonane-7-carboxylate Openeye Name: ethyl 2-(benzyloxymethyl)-1-ethyl-6-oxo-1-azoniabicyclo[3.3.1]nonane-7-carboxylate CAS Name: 1-ethyl-6-oxo-2-(phenylmethoxymethyl)-1-azoniabicyclo[3.3.1]nonane-7-carboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-6-oxo-2-(phenylmethoxymethyl)-1-azoniabicyclo[3.3.1]nonane-7-carboxylate Traditional Name: 2-(benzoxymethyl)-1-ethyl-6-keto-1-azoniabicyclo[3.3.1]nonane-7-carboxylic acid ethyl ester Formula: C21H30NO4+ MolecularWeight: 360.4672

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]12CC(CCC1COCC3=CC=CC=C3)C(=O)C(C2)C(=O)OCC

Isomeric SMILES

CC[N+]12CC(CCC1COCC3=CC=CC=C3)C(=O)C(C2)C(=O)OCC

InChI

InChI=1S/C21H30NO4/c1-3-22-12-17(20(23)19(13-22)21(24)26-4-2)10-11-18(22)15-25-14-16-8-6-5-7-9-16/h5-9,17-19H,3-4,10-15H2,1-2H3/q+1