ethyl 9-(phenylmethyl)-9-azoniabicyclo[3.3.1]nonane-9-carboxylate

Systemtic Name: ethyl 9-(phenylmethyl)-9-azoniabicyclo[3.3.1]nonane-9-carboxylate Openeye Name: ethyl 9-benzyl-9-azoniabicyclo[3.3.1]nonane-9-carboxylate CAS Name: 9-(phenylmethyl)-9-azoniabicyclo[3.3.1]nonane-9-carboxylic acid ethyl ester IUPAC Name: ethyl 9-benzyl-9-azoniabicyclo[3.3.1]nonane-9-carboxylate Traditional Name: 9-benzyl-9-azoniabicyclo[3.3.1]nonane-9-carboxylic acid ethyl ester Formula: C18H26NO2+ MolecularWeight: 288.40454

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)[N+]1(C2CCCC1CCC2)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[N+]1(C2CCCC1CCC2)CC3=CC=CC=C3

InChI

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