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

Systemtic Name: 2-[[(2R)-1-methyl-1-phenacyl-pyrrolidin-1-ium-2-yl]methoxy]-2-oxidanylidene-1,1-diphenyl-ethanolate Openeye Name: 2-[[(2R)-1-methyl-1-phenacyl-pyrrolidin-1-ium-2-yl]methoxy]-2-oxo-1,1-diphenyl-ethanolate CAS Name: 2-[[(2R)-1-methyl-1-phenacyl-2-pyrrolidin-1-iumyl]methoxy]-2-oxo-1,1-diphenylethanolate IUPAC Name: 2-[[(2R)-1-methyl-1-phenacylpyrrolidin-1-ium-2-yl]methoxy]-2-oxo-1,1-diphenylethanolate Traditional Name: 2-keto-2-[[(2R)-1-methyl-1-phenacyl-pyrrolidin-1-ium-2-yl]methoxy]-1,1-diphenyl-ethanolate Formula: C28H29NO4 MolecularWeight: 443.53416

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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-])CC(=O)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C28H29NO4/c1-29(20-26(30)22-12-5-2-6-13-22)19-11-18-25(29)21-33-27(31)28(32,23-14-7-3-8-15-23)24-16-9-4-10-17-24/h2-10,12-17,25H,11,18-21H2,1H3/t25-,29?/m1/s1