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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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