[(3S)-1-azoniabicyclo[2.2.2]octan-3-yl] 4-chloranylbenzoate

Systemtic Name: [(3S)-1-azoniabicyclo[2.2.2]octan-3-yl] 4-chloranylbenzoate Openeye Name: [(3S)-quinuclidin-1-ium-3-yl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [(3S)-1-azoniabicyclo[2.2.2]octan-3-yl] ester IUPAC Name: [(3S)-1-azoniabicyclo[2.2.2]octan-3-yl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [(3S)-quinuclidin-1-ium-3-yl] ester Formula: C14H17ClNO2+ MolecularWeight: 266.74328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+]2CCC1C(C2)OC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1C[NH+]2CCC1[C@@H](C2)OC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C14H16ClNO2/c15-12-3-1-11(2-4-12)14(17)18-13-9-16-7-5-10(13)6-8-16/h1-4,10,13H,5-9H2/p+1/t13-/m1/s1