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

Systemtic Name: 2-[[(2R)-1-methyl-1-(2-phenoxyethyl)pyrrolidin-1-ium-2-yl]methoxy]-2-oxidanylidene-1,1-diphenyl-ethanolate Openeye Name: 2-[[(2R)-1-methyl-1-(2-phenoxyethyl)pyrrolidin-1-ium-2-yl]methoxy]-2-oxo-1,1-diphenyl-ethanolate CAS Name: 2-[[(2R)-1-methyl-1-(2-phenoxyethyl)-2-pyrrolidin-1-iumyl]methoxy]-2-oxo-1,1-diphenylethanolate IUPAC Name: 2-[[(2R)-1-methyl-1-(2-phenoxyethyl)pyrrolidin-1-ium-2-yl]methoxy]-2-oxo-1,1-diphenylethanolate Traditional Name: 2-keto-2-[[(2R)-1-methyl-1-(2-phenoxyethyl)pyrrolidin-1-ium-2-yl]methoxy]-1,1-diphenyl-ethanolate Formula: C28H31NO4 MolecularWeight: 445.55004

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC1COC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)[O-])CCOC4=CC=CC=C4

Isomeric SMILES

C[N+]1(CCC[C@@H]1COC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)[O-])CCOC4=CC=CC=C4

InChI

InChI=1S/C28H31NO4/c1-29(20-21-32-26-17-9-4-10-18-26)19-11-16-25(29)22-33-27(30)28(31,23-12-5-2-6-13-23)24-14-7-3-8-15-24/h2-10,12-15,17-18,25H,11,16,19-22H2,1H3/t25-,29?/m1/s1