ethyl 2-[[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]amino]pyridine-3-carboxylate

Systemtic Name: ethyl 2-[[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]amino]pyridine-3-carboxylate Openeye Name: ethyl 2-[[(3R)-quinuclidin-1-ium-3-yl]amino]pyridine-3-carboxylate CAS Name: 2-[[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]amino]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]amino]pyridine-3-carboxylate Traditional Name: 2-[[(3R)-quinuclidin-1-ium-3-yl]amino]nicotinic acid ethyl ester Formula: C15H22N3O2+ MolecularWeight: 276.35408

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=CC=C1)NC2C[NH+]3CCC2CC3

Isomeric SMILES

CCOC(=O)C1=C(N=CC=C1)N[C@H]2C[NH+]3CCC2CC3

InChI

InChI=1S/C15H21N3O2/c1-2-20-15(19)12-4-3-7-16-14(12)17-13-10-18-8-5-11(13)6-9-18/h3-4,7,11,13H,2,5-6,8-10H2,1H3,(H,16,17)/p+1/t13-/m0/s1