ethyl 1-(phenylmethyl)-1-azoniabicyclo[3.2.1]octane-5-carboxylate

Systemtic Name: ethyl 1-(phenylmethyl)-1-azoniabicyclo[3.2.1]octane-5-carboxylate Openeye Name: ethyl 1-benzyl-1-azoniabicyclo[3.2.1]octane-5-carboxylate CAS Name: 1-(phenylmethyl)-1-azoniabicyclo[3.2.1]octane-5-carboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-1-azoniabicyclo[3.2.1]octane-5-carboxylate Traditional Name: 1-benzyl-1-azoniabicyclo[3.2.1]octane-5-carboxylic acid ethyl ester Formula: C17H24NO2+ MolecularWeight: 274.37796

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C12CCC[N+](C1)(CC2)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C12CCC[N+](C1)(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C17H24NO2/c1-2-20-16(19)17-9-6-11-18(14-17,12-10-17)13-15-7-4-3-5-8-15/h3-5,7-8H,2,6,9-14H2,1H3/q+1