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

Systemtic Name: ethyl 1-methyl-6-oxidanylidene-2-(phenylmethoxymethyl)-1-azoniabicyclo[3.3.1]nonane-7-carboxylate Openeye Name: ethyl 2-(benzyloxymethyl)-1-methyl-6-oxo-1-azoniabicyclo[3.3.1]nonane-7-carboxylate CAS Name: 1-methyl-6-oxo-2-(phenylmethoxymethyl)-1-azoniabicyclo[3.3.1]nonane-7-carboxylic acid ethyl ester IUPAC Name: ethyl 1-methyl-6-oxo-2-(phenylmethoxymethyl)-1-azoniabicyclo[3.3.1]nonane-7-carboxylate Traditional Name: 2-(benzoxymethyl)-6-keto-1-methyl-1-azoniabicyclo[3.3.1]nonane-7-carboxylic acid ethyl ester Formula: C20H28NO4+ MolecularWeight: 346.44062

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C[N+]2(CC(C1=O)CCC2COCC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1C[N+]2(CC(C1=O)CCC2COCC3=CC=CC=C3)C

InChI

InChI=1S/C20H28NO4/c1-3-25-20(23)18-12-21(2)11-16(19(18)22)9-10-17(21)14-24-13-15-7-5-4-6-8-15/h4-8,16-18H,3,9-14H2,1-2H3/q+1