1-[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: 1-[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: 2,5-dimethyl-1-[(3R)-quinuclidin-1-ium-3-yl]pyrrole-3-carboxylate CAS Name: 1-[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]-2,5-dimethyl-3-pyrrolecarboxylate IUPAC Name: 1-[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-1-[(3R)-quinuclidin-1-ium-3-yl]pyrrole-3-carboxylate Formula: C14H20N2O2 MolecularWeight: 248.3208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2C[NH+]3CCC2CC3)C)C(=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1[C@H]2C[NH+]3CCC2CC3)C)C(=O)[O-]

InChI

InChI=1S/C14H20N2O2/c1-9-7-12(14(17)18)10(2)16(9)13-8-15-5-3-11(13)4-6-15/h7,11,13H,3-6,8H2,1-2H3,(H,17,18)/t13-/m0/s1