[(3S)-1-methyl-1-(2-phenylmethoxyethyl)pyrrolidin-1-ium-3-yl]methyl 2-oxidanyl-2,2-diphenyl-ethanoate

Systemtic Name: [(3S)-1-methyl-1-(2-phenylmethoxyethyl)pyrrolidin-1-ium-3-yl]methyl 2-oxidanyl-2,2-diphenyl-ethanoate Openeye Name: [(3S)-1-(2-benzyloxyethyl)-1-methyl-pyrrolidin-1-ium-3-yl]methyl 2-hydroxy-2,2-diphenyl-acetate CAS Name: 2-hydroxy-2,2-diphenylacetic acid [(3S)-1-methyl-1-(2-phenylmethoxyethyl)-3-pyrrolidin-1-iumyl]methyl ester IUPAC Name: [(3S)-1-methyl-1-(2-phenylmethoxyethyl)pyrrolidin-1-ium-3-yl]methyl 2-hydroxy-2,2-diphenylacetate Traditional Name: 2-hydroxy-2,2-diphenyl-acetic acid [(3S)-1-(2-benzoxyethyl)-1-methyl-pyrrolidin-1-ium-3-yl]methyl ester Formula: C29H34NO4+ MolecularWeight: 460.58456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(C1)COC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)CCOCC4=CC=CC=C4

Isomeric SMILES

C[N+]1(CC[C@@H](C1)COC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)CCOCC4=CC=CC=C4

InChI

InChI=1S/C29H34NO4/c1-30(19-20-33-22-24-11-5-2-6-12-24)18-17-25(21-30)23-34-28(31)29(32,26-13-7-3-8-14-26)27-15-9-4-10-16-27/h2-16,25,32H,17-23H2,1H3/q+1/t25-,30?/m0/s1