N-[(3S)-1-azoniabicyclo[2.2.2]octan-3-yl]-6-bromanyl-1H-benzimidazole-4-carboxamide

Systemtic Name: N-[(3S)-1-azoniabicyclo[2.2.2]octan-3-yl]-6-bromanyl-1H-benzimidazole-4-carboxamide Openeye Name: 6-bromo-N-[(3S)-quinuclidin-1-ium-3-yl]-1H-benzimidazole-4-carboxamide CAS Name: N-[(3S)-1-azoniabicyclo[2.2.2]octan-3-yl]-6-bromo-1H-benzimidazole-4-carboxamide IUPAC Name: N-[(3S)-1-azoniabicyclo[2.2.2]octan-3-yl]-6-bromo-1H-benzimidazole-4-carboxamide Traditional Name: 6-bromo-N-[(3S)-quinuclidin-1-ium-3-yl]-1H-benzimidazole-4-carboxamide Formula: C15H18BrN4O+ MolecularWeight: 350.23362

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+]2CCC1C(C2)NC(=O)C3=CC(=CC4=C3N=CN4)Br

Isomeric SMILES

C1C[NH+]2CCC1[C@@H](C2)NC(=O)C3=CC(=CC4=C3N=CN4)Br

InChI

InChI=1S/C15H17BrN4O/c16-10-5-11(14-12(6-10)17-8-18-14)15(21)19-13-7-20-3-1-9(13)2-4-20/h5-6,8-9,13H,1-4,7H2,(H,17,18)(H,19,21)/p+1/t13-/m1/s1