1-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)ethyl benzoate chloride

Systemtic Name: 1-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)ethyl benzoate chloride Openeye Name: 1-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)ethyl benzoate chloride CAS Name: benzoic acid 1-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)ethyl ester chloride IUPAC Name: 1-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)ethyl benzoate chloride Traditional Name: benzoic acid 1-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)ethyl ester chloride Formula: C15H21ClN2O2 MolecularWeight: 296.79244

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Descriptors Computed from Structure

Canonical SMILES:

CC([N+]12CCN(CC1)CC2)OC(=O)C3=CC=CC=C3.[Cl-]

Isomeric SMILES

CC([N+]12CCN(CC1)CC2)OC(=O)C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C15H21N2O2.ClH/c1-13(17-10-7-16(8-11-17)9-12-17)19-15(18)14-5-3-2-4-6-14;/h2-6,13H,7-12H2,1H3;1H/q+1;/p-1