1-(1-azabicyclo[2.2.2]octan-3-yl)benzotriazole-5-carboxylic acid

Systemtic Name: 1-(1-azabicyclo[2.2.2]octan-3-yl)benzotriazole-5-carboxylic acid Openeye Name: 1-quinuclidin-3-ylbenzotriazole-5-carboxylic acid CAS Name: 1-(1-azabicyclo[2.2.2]octan-3-yl)-5-benzotriazolecarboxylic acid IUPAC Name: 1-(1-azabicyclo[2.2.2]octan-3-yl)benzotriazole-5-carboxylic acid Traditional Name: 1-quinuclidin-3-ylbenzotriazole-5-carboxylic acid Formula: C14H16N4O2 MolecularWeight: 272.30244

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)N3C4=C(C=C(C=C4)C(=O)O)N=N3

Isomeric SMILES

C1CN2CCC1C(C2)N3C4=C(C=C(C=C4)C(=O)O)N=N3

InChI

InChI=1S/C14H16N4O2/c19-14(20)10-1-2-12-11(7-10)15-16-18(12)13-8-17-5-3-9(13)4-6-17/h1-2,7,9,13H,3-6,8H2,(H,19,20)