ethyl 1-(phenylmethyl)-1-azoniabicyclo[2.2.1]heptane-3-carboxylate

Systemtic Name: ethyl 1-(phenylmethyl)-1-azoniabicyclo[2.2.1]heptane-3-carboxylate Openeye Name: ethyl 1-benzyl-1-azoniabicyclo[2.2.1]heptane-3-carboxylate CAS Name: 1-(phenylmethyl)-1-azoniabicyclo[2.2.1]heptane-3-carboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-1-azoniabicyclo[2.2.1]heptane-3-carboxylate Traditional Name: 1-benzyl-1-azoniabicyclo[2.2.1]heptane-3-carboxylic acid ethyl ester Formula: C16H22NO2+ MolecularWeight: 260.35138

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C[N+]2(CCC1C2)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1C[N+]2(CCC1C2)CC3=CC=CC=C3

InChI

InChI=1S/C16H22NO2/c1-2-19-16(18)15-12-17(9-8-14(15)11-17)10-13-6-4-3-5-7-13/h3-7,14-15H,2,8-12H2,1H3/q+1