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

Systemtic Name: methyl 1-[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: methyl 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-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 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-carboxylic acid methyl ester Formula: C15H23N2O2+ MolecularWeight: 263.35532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O2/c1-10-8-13(15(18)19-3)11(2)17(10)14-9-16-6-4-12(14)5-7-16/h8,12,14H,4-7,9H2,1-3H3/p+1/t14-/m0/s1