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

Systemtic Name: [(3R)-1-methyl-1-[2-oxidanylidene-2-(pyridazin-3-ylamino)ethyl]pyrrolidin-1-ium-3-yl] 2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate bromide Openeye Name: [(3R)-1-methyl-1-[2-oxo-2-(pyridazin-3-ylamino)ethyl]pyrrolidin-1-ium-3-yl] 2-cyclopentyl-2-hydroxy-2-phenyl-acetate bromide CAS Name: 2-cyclopentyl-2-hydroxy-2-phenylacetic acid [(3R)-1-methyl-1-[2-oxo-2-(3-pyridazinylamino)ethyl]-3-pyrrolidin-1-iumyl] ester bromide IUPAC Name: [(3R)-1-methyl-1-[2-oxo-2-(pyridazin-3-ylamino)ethyl]pyrrolidin-1-ium-3-yl] 2-cyclopentyl-2-hydroxy-2-phenylacetate bromide Traditional Name: 2-cyclopentyl-2-hydroxy-2-phenyl-acetic acid [(3R)-1-[2-keto-2-(pyridazin-3-ylamino)ethyl]-1-methyl-pyrrolidin-1-ium-3-yl] ester bromide Formula: C24H31BrN4O4 MolecularWeight: 519.43134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(C1)OC(=O)C(C2CCCC2)(C3=CC=CC=C3)O)CC(=O)NC4=NN=CC=C4.[Br-]

Isomeric SMILES

C[N+]1(CC[C@H](C1)OC(=O)C(C2CCCC2)(C3=CC=CC=C3)O)CC(=O)NC4=NN=CC=C4.[Br-]

InChI

InChI=1S/C24H30N4O4.BrH/c1-28(17-22(29)26-21-12-7-14-25-27-21)15-13-20(16-28)32-23(30)24(31,19-10-5-6-11-19)18-8-3-2-4-9-18;/h2-4,7-9,12,14,19-20,31H,5-6,10-11,13,15-17H2,1H3;1H/t20-,24?,28?;/m1./s1