N-[(3S)-1-azoniabicyclo[2.2.2]octan-3-yl]-4-bromanyl-benzamide

Systemtic Name: N-[(3S)-1-azoniabicyclo[2.2.2]octan-3-yl]-4-bromanyl-benzamide Openeye Name: 4-bromo-N-[(3S)-quinuclidin-1-ium-3-yl]benzamide CAS Name: N-[(3S)-1-azoniabicyclo[2.2.2]octan-3-yl]-4-bromobenzamide IUPAC Name: N-[(3S)-1-azoniabicyclo[2.2.2]octan-3-yl]-4-bromobenzamide Traditional Name: 4-bromo-N-[(3S)-quinuclidin-1-ium-3-yl]benzamide Formula: C14H18BrN2O+ MolecularWeight: 310.20952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17BrN2O/c15-12-3-1-11(2-4-12)14(18)16-13-9-17-7-5-10(13)6-8-17/h1-4,10,13H,5-9H2,(H,16,18)/p+1/t13-/m1/s1