[(3R)-1-[2-oxidanylidene-2-(pyrazin-2-ylamino)ethyl]-1-azoniabicyclo[2.2.2]octan-3-yl] 2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoate

Systemtic Name: [(3R)-1-[2-oxidanylidene-2-(pyrazin-2-ylamino)ethyl]-1-azoniabicyclo[2.2.2]octan-3-yl] 2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoate Openeye Name: [(3R)-1-[2-oxo-2-(pyrazin-2-ylamino)ethyl]quinuclidin-1-ium-3-yl] 2-cyclohexyl-2-hydroxy-2-phenyl-acetate CAS Name: 2-cyclohexyl-2-hydroxy-2-phenylacetic acid [(3R)-1-[2-oxo-2-(2-pyrazinylamino)ethyl]-1-azoniabicyclo[2.2.2]octan-3-yl] ester IUPAC Name: [(3R)-1-[2-oxo-2-(pyrazin-2-ylamino)ethyl]-1-azoniabicyclo[2.2.2]octan-3-yl] 2-cyclohexyl-2-hydroxy-2-phenylacetate Traditional Name: 2-cyclohexyl-2-hydroxy-2-phenyl-acetic acid [(3R)-1-[2-keto-2-(pyrazin-2-ylamino)ethyl]quinuclidin-1-ium-3-yl] ester Formula: C27H35N4O4+ MolecularWeight: 479.5912

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C2=CC=CC=C2)(C(=O)OC3C[N+]4(CCC3CC4)CC(=O)NC5=NC=CN=C5)O

Isomeric SMILES

C1CCC(CC1)C(C2=CC=CC=C2)(C(=O)O[C@H]3C[N+]4(CCC3CC4)CC(=O)NC5=NC=CN=C5)O

InChI

InChI=1S/C27H34N4O4/c32-25(30-24-17-28-13-14-29-24)19-31-15-11-20(12-16-31)23(18-31)35-26(33)27(34,21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1,3-4,7-8,13-14,17,20,22-23,34H,2,5-6,9-12,15-16,18-19H2/p+1/t20?,23-,27?,31?/m0/s1