[(3R)-1-methyl-1-(2-phenylmethoxyethyl)pyrrolidin-1-ium-3-yl] 2-cyclohexyl-2-(furan-2-yl)-2-oxidanyl-ethanoate bromide

Systemtic Name: [(3R)-1-methyl-1-(2-phenylmethoxyethyl)pyrrolidin-1-ium-3-yl] 2-cyclohexyl-2-(furan-2-yl)-2-oxidanyl-ethanoate bromide Openeye Name: [(3R)-1-(2-benzyloxyethyl)-1-methyl-pyrrolidin-1-ium-3-yl] 2-cyclohexyl-2-(2-furyl)-2-hydroxy-acetate bromide CAS Name: 2-cyclohexyl-2-(2-furanyl)-2-hydroxyacetic acid [(3R)-1-methyl-1-(2-phenylmethoxyethyl)-3-pyrrolidin-1-iumyl] ester bromide IUPAC Name: [(3R)-1-methyl-1-(2-phenylmethoxyethyl)pyrrolidin-1-ium-3-yl] 2-cyclohexyl-2-(furan-2-yl)-2-hydroxyacetate bromide Traditional Name: 2-cyclohexyl-2-(2-furyl)-2-hydroxy-acetic acid [(3R)-1-(2-benzoxyethyl)-1-methyl-pyrrolidin-1-ium-3-yl] ester bromide Formula: C26H36BrNO5 MolecularWeight: 522.47174

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(C1)OC(=O)C(C2CCCCC2)(C3=CC=CO3)O)CCOCC4=CC=CC=C4.[Br-]

Isomeric SMILES

C[N+]1(CC[C@H](C1)OC(=O)C(C2CCCCC2)(C3=CC=CO3)O)CCOCC4=CC=CC=C4.[Br-]

InChI

InChI=1S/C26H36NO5.BrH/c1-27(16-18-30-20-21-9-4-2-5-10-21)15-14-23(19-27)32-25(28)26(29,24-13-8-17-31-24)22-11-6-3-7-12-22;/h2,4-5,8-10,13,17,22-23,29H,3,6-7,11-12,14-16,18-20H2,1H3;1H/q+1;/p-1/t23-,26?,27?;/m1./s1