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

Systemtic Name: [(3R)-1-methyl-1-[2-(1,2-oxazol-3-ylamino)-2-oxidanylidene-ethyl]pyrrolidin-1-ium-3-yl] 2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate bromide Openeye Name: [(3R)-1-[2-(isoxazol-3-ylamino)-2-oxo-ethyl]-1-methyl-pyrrolidin-1-ium-3-yl] 2-cyclopentyl-2-hydroxy-2-phenyl-acetate bromide CAS Name: 2-cyclopentyl-2-hydroxy-2-phenylacetic acid [(3R)-1-[2-(3-isoxazolylamino)-2-oxoethyl]-1-methyl-3-pyrrolidin-1-iumyl] ester bromide IUPAC Name: [(3R)-1-methyl-1-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]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-(isoxazol-3-ylamino)-2-keto-ethyl]-1-methyl-pyrrolidin-1-ium-3-yl] ester bromide Formula: C23H30BrN3O5 MolecularWeight: 508.4054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O5.BrH/c1-26(16-21(27)24-20-12-14-30-25-20)13-11-19(15-26)31-22(28)23(29,18-9-5-6-10-18)17-7-3-2-4-8-17;/h2-4,7-8,12,14,18-19,29H,5-6,9-11,13,15-16H2,1H3;1H/t19-,23?,26?;/m1./s1