2-[(2R)-1-methyl-2-[(2-oxidanyl-2,2-diphenyl-ethanoyl)oxymethyl]pyrrolidin-1-ium-1-yl]ethyl benzoate

Systemtic Name: 2-[(2R)-1-methyl-2-[(2-oxidanyl-2,2-diphenyl-ethanoyl)oxymethyl]pyrrolidin-1-ium-1-yl]ethyl benzoate Openeye Name: 2-[(2R)-2-[(2-hydroxy-2,2-diphenyl-acetyl)oxymethyl]-1-methyl-pyrrolidin-1-ium-1-yl]ethyl benzoate CAS Name: benzoic acid 2-[(2R)-2-[(2-hydroxy-1-oxo-2,2-diphenylethoxy)methyl]-1-methyl-1-pyrrolidin-1-iumyl]ethyl ester IUPAC Name: 2-[(2R)-2-[(2-hydroxy-2,2-diphenylacetyl)oxymethyl]-1-methylpyrrolidin-1-ium-1-yl]ethyl benzoate Traditional Name: benzoic acid 2-[(2R)-2-(benziloyloxymethyl)-1-methyl-pyrrolidin-1-ium-1-yl]ethyl ester Formula: C29H32NO5+ MolecularWeight: 474.56808

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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)CCOC(=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)CCOC(=O)C4=CC=CC=C4

InChI

InChI=1S/C29H32NO5/c1-30(20-21-34-27(31)23-12-5-2-6-13-23)19-11-18-26(30)22-35-28(32)29(33,24-14-7-3-8-15-24)25-16-9-4-10-17-25/h2-10,12-17,26,33H,11,18-22H2,1H3/q+1/t26-,30?/m1/s1