[(3S)-1-azoniabicyclo[2.2.2]octan-3-yl] 1H-benzimidazole-4-carboxylate

Systemtic Name: [(3S)-1-azoniabicyclo[2.2.2]octan-3-yl] 1H-benzimidazole-4-carboxylate Openeye Name: [(3S)-quinuclidin-1-ium-3-yl] 1H-benzimidazole-4-carboxylate CAS Name: 1H-benzimidazole-4-carboxylic acid [(3S)-1-azoniabicyclo[2.2.2]octan-3-yl] ester IUPAC Name: [(3S)-1-azoniabicyclo[2.2.2]octan-3-yl] 1H-benzimidazole-4-carboxylate Traditional Name: 1H-benzimidazole-4-carboxylic acid [(3S)-quinuclidin-1-ium-3-yl] ester Formula: C15H18N3O2+ MolecularWeight: 272.32232

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+]2CCC1C(C2)OC(=O)C3=C4C(=CC=C3)NC=N4

Isomeric SMILES

C1C[NH+]2CCC1[C@@H](C2)OC(=O)C3=C4C(=CC=C3)NC=N4

InChI

InChI=1S/C15H17N3O2/c19-15(11-2-1-3-12-14(11)17-9-16-12)20-13-8-18-6-4-10(13)5-7-18/h1-3,9-10,13H,4-8H2,(H,16,17)/p+1/t13-/m1/s1