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

Systemtic Name: 2-[[(2S)-1-methyl-1-(2-phenylmethoxyethyl)pyrrolidin-1-ium-2-yl]methoxy]-2-oxidanylidene-1,1-diphenyl-ethanolate Openeye Name: 2-[[(2S)-1-(2-benzyloxyethyl)-1-methyl-pyrrolidin-1-ium-2-yl]methoxy]-2-oxo-1,1-diphenyl-ethanolate CAS Name: 2-[[(2S)-1-methyl-1-(2-phenylmethoxyethyl)-2-pyrrolidin-1-iumyl]methoxy]-2-oxo-1,1-diphenylethanolate IUPAC Name: 2-[[(2S)-1-methyl-1-(2-phenylmethoxyethyl)pyrrolidin-1-ium-2-yl]methoxy]-2-oxo-1,1-diphenylethanolate Traditional Name: 2-[[(2S)-1-(2-benzoxyethyl)-1-methyl-pyrrolidin-1-ium-2-yl]methoxy]-2-keto-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-])CCOCC4=CC=CC=C4

Isomeric SMILES

C[N+]1(CCC[C@H]1COC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)[O-])CCOCC4=CC=CC=C4

InChI

InChI=1S/C29H33NO4/c1-30(20-21-33-22-24-12-5-2-6-13-24)19-11-18-27(30)23-34-28(31)29(32,25-14-7-3-8-15-25)26-16-9-4-10-17-26/h2-10,12-17,27H,11,18-23H2,1H3/t27-,30?/m0/s1