2-[[(2R)-1-methyl-1-[2-(2-phenoxyethoxy)ethyl]pyrrolidin-1-ium-2-yl]methoxy]-2-oxidanylidene-1,1-diphenyl-ethanolate

Systemtic Name: 2-[[(2R)-1-methyl-1-[2-(2-phenoxyethoxy)ethyl]pyrrolidin-1-ium-2-yl]methoxy]-2-oxidanylidene-1,1-diphenyl-ethanolate Openeye Name: 2-[[(2R)-1-methyl-1-[2-(2-phenoxyethoxy)ethyl]pyrrolidin-1-ium-2-yl]methoxy]-2-oxo-1,1-diphenyl-ethanolate CAS Name: 2-[[(2R)-1-methyl-1-[2-(2-phenoxyethoxy)ethyl]-2-pyrrolidin-1-iumyl]methoxy]-2-oxo-1,1-diphenylethanolate IUPAC Name: 2-[[(2R)-1-methyl-1-[2-(2-phenoxyethoxy)ethyl]pyrrolidin-1-ium-2-yl]methoxy]-2-oxo-1,1-diphenylethanolate Traditional Name: 2-keto-2-[[(2R)-1-methyl-1-[2-(2-phenoxyethoxy)ethyl]pyrrolidin-1-ium-2-yl]methoxy]-1,1-diphenyl-ethanolate Formula: C30H35NO5 MolecularWeight: 489.6026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC1COC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)[O-])CCOCCOC4=CC=CC=C4

Isomeric SMILES

C[N+]1(CCC[C@@H]1COC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)[O-])CCOCCOC4=CC=CC=C4

InChI

InChI=1S/C30H35NO5/c1-31(20-21-34-22-23-35-28-17-9-4-10-18-28)19-11-16-27(31)24-36-29(32)30(33,25-12-5-2-6-13-25)26-14-7-3-8-15-26/h2-10,12-15,17-18,27H,11,16,19-24H2,1H3/t27-,31?/m1/s1