[(3R)-1-methyl-1-[2-oxidanylidene-2-(pyrazin-2-ylamino)ethyl]pyrrolidin-1-ium-3-yl] 2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoate bromide

Systemtic Name: [(3R)-1-methyl-1-[2-oxidanylidene-2-(pyrazin-2-ylamino)ethyl]pyrrolidin-1-ium-3-yl] 2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoate bromide Openeye Name: [(3R)-1-methyl-1-[2-oxo-2-(pyrazin-2-ylamino)ethyl]pyrrolidin-1-ium-3-yl] 2-cyclohexyl-2-hydroxy-2-phenyl-acetate bromide CAS Name: 2-cyclohexyl-2-hydroxy-2-phenylacetic acid [(3R)-1-methyl-1-[2-oxo-2-(2-pyrazinylamino)ethyl]-3-pyrrolidin-1-iumyl] ester bromide IUPAC Name: [(3R)-1-methyl-1-[2-oxo-2-(pyrazin-2-ylamino)ethyl]pyrrolidin-1-ium-3-yl] 2-cyclohexyl-2-hydroxy-2-phenylacetate bromide Traditional Name: 2-cyclohexyl-2-hydroxy-2-phenyl-acetic acid [(3R)-1-[2-keto-2-(pyrazin-2-ylamino)ethyl]-1-methyl-pyrrolidin-1-ium-3-yl] ester bromide Formula: C25H33BrN4O4 MolecularWeight: 533.45792

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(C1)OC(=O)C(C2CCCCC2)(C3=CC=CC=C3)O)CC(=O)NC4=NC=CN=C4.[Br-]

Isomeric SMILES

C[N+]1(CC[C@H](C1)OC(=O)C(C2CCCCC2)(C3=CC=CC=C3)O)CC(=O)NC4=NC=CN=C4.[Br-]

InChI

InChI=1S/C25H32N4O4.BrH/c1-29(18-23(30)28-22-16-26-13-14-27-22)15-12-21(17-29)33-24(31)25(32,19-8-4-2-5-9-19)20-10-6-3-7-11-20;/h2,4-5,8-9,13-14,16,20-21,32H,3,6-7,10-12,15,17-18H2,1H3;1H/t21-,25?,29?;/m1./s1