2-[[(2R)-1-methyl-1-(3-phenoxypropyl)pyrrolidin-1-ium-2-yl]methoxy]-2-oxidanylidene-1,1-diphenyl-ethanolate

Systemtic Name: 2-[[(2R)-1-methyl-1-(3-phenoxypropyl)pyrrolidin-1-ium-2-yl]methoxy]-2-oxidanylidene-1,1-diphenyl-ethanolate Openeye Name: 2-[[(2R)-1-methyl-1-(3-phenoxypropyl)pyrrolidin-1-ium-2-yl]methoxy]-2-oxo-1,1-diphenyl-ethanolate CAS Name: 2-[[(2R)-1-methyl-1-(3-phenoxypropyl)-2-pyrrolidin-1-iumyl]methoxy]-2-oxo-1,1-diphenylethanolate IUPAC Name: 2-[[(2R)-1-methyl-1-(3-phenoxypropyl)pyrrolidin-1-ium-2-yl]methoxy]-2-oxo-1,1-diphenylethanolate Traditional Name: 2-keto-2-[[(2R)-1-methyl-1-(3-phenoxypropyl)pyrrolidin-1-ium-2-yl]methoxy]-1,1-diphenyl-ethanolate Formula: C29H33NO4 MolecularWeight: 459.57662

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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-])CCCOC4=CC=CC=C4

Isomeric SMILES

C[N+]1(CCC[C@@H]1COC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)[O-])CCCOC4=CC=CC=C4

InChI

InChI=1S/C29H33NO4/c1-30(21-12-22-33-27-18-9-4-10-19-27)20-11-17-26(30)23-34-28(31)29(32,24-13-5-2-6-14-24)25-15-7-3-8-16-25/h2-10,13-16,18-19,26H,11-12,17,20-23H2,1H3/t26-,30?/m1/s1