1-azoniabicyclo[2.2.2]octan-3-yl 3-chloranylbenzoate chloride

Systemtic Name: 1-azoniabicyclo[2.2.2]octan-3-yl 3-chloranylbenzoate chloride Openeye Name: quinuclidin-1-ium-3-yl 3-chlorobenzoate chloride CAS Name: 3-chlorobenzoic acid 1-azoniabicyclo[2.2.2]octan-3-yl ester chloride IUPAC Name: 1-azoniabicyclo[2.2.2]octan-3-yl 3-chlorobenzoate chloride Traditional Name: 3-chlorobenzoic acid quinuclidin-1-ium-3-yl ester chloride Formula: C14H17Cl2NO2 MolecularWeight: 302.19628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16ClNO2.ClH/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;1H