ethyl 1-(phenylmethyl)-1-azoniabicyclo[3.3.1]nonane-5-carboxylate

Systemtic Name: ethyl 1-(phenylmethyl)-1-azoniabicyclo[3.3.1]nonane-5-carboxylate Openeye Name: ethyl 1-benzyl-1-azoniabicyclo[3.3.1]nonane-5-carboxylate CAS Name: 1-(phenylmethyl)-1-azoniabicyclo[3.3.1]nonane-5-carboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-1-azoniabicyclo[3.3.1]nonane-5-carboxylate Traditional Name: 1-benzyl-1-azoniabicyclo[3.3.1]nonane-5-carboxylic acid ethyl ester Formula: C18H26NO2+ MolecularWeight: 288.40454

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C12CCC[N+](C1)(CCC2)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C12CCC[N+](C1)(CCC2)CC3=CC=CC=C3

InChI

InChI=1S/C18H26NO2/c1-2-21-17(20)18-10-6-12-19(15-18,13-7-11-18)14-16-8-4-3-5-9-16/h3-5,8-9H,2,6-7,10-15H2,1H3/q+1