N-[(3S)-1-azoniabicyclo[2.2.2]octan-3-yl]-3-chloranyl-benzamide

Systemtic Name: N-[(3S)-1-azoniabicyclo[2.2.2]octan-3-yl]-3-chloranyl-benzamide Openeye Name: 3-chloro-N-[(3S)-quinuclidin-1-ium-3-yl]benzamide CAS Name: N-[(3S)-1-azoniabicyclo[2.2.2]octan-3-yl]-3-chlorobenzamide IUPAC Name: N-[(3S)-1-azoniabicyclo[2.2.2]octan-3-yl]-3-chlorobenzamide Traditional Name: 3-chloro-N-[(3S)-quinuclidin-1-ium-3-yl]benzamide Formula: C14H18ClN2O+ MolecularWeight: 265.75852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17ClN2O/c15-12-3-1-2-11(8-12)14(18)16-13-9-17-6-4-10(13)5-7-17/h1-3,8,10,13H,4-7,9H2,(H,16,18)/p+1/t13-/m1/s1