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

Systemtic Name: [(1R,3S)-1-(2-hexoxy-2-oxidanylidene-ethyl)-1-methyl-pyrrolidin-1-ium-3-yl] (2R)-2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate bromide Openeye Name: [(1R,3S)-1-(2-hexoxy-2-oxo-ethyl)-1-methyl-pyrrolidin-1-ium-3-yl] (2R)-2-cyclopentyl-2-hydroxy-2-phenyl-acetate bromide CAS Name: (2R)-2-cyclopentyl-2-hydroxy-2-phenylacetic acid [(1R,3S)-1-(2-hexoxy-2-oxoethyl)-1-methyl-3-pyrrolidin-1-iumyl] ester bromide IUPAC Name: [(1R,3S)-1-(2-hexoxy-2-oxoethyl)-1-methylpyrrolidin-1-ium-3-yl] (2R)-2-cyclopentyl-2-hydroxy-2-phenylacetate bromide Traditional Name: (2R)-2-cyclopentyl-2-hydroxy-2-phenyl-acetic acid [(1R,3S)-1-(2-hexoxy-2-keto-ethyl)-1-methyl-pyrrolidin-1-ium-3-yl] ester bromide Formula: C26H40BrNO5 MolecularWeight: 526.5035

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H40NO5.BrH/c1-3-4-5-11-18-31-24(28)20-27(2)17-16-23(19-27)32-25(29)26(30,22-14-9-10-15-22)21-12-7-6-8-13-21;/h6-8,12-13,22-23,30H,3-5,9-11,14-20H2,1-2H3;1H/q+1;/p-1/t23-,26-,27+;/m0./s1