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

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

Click to see the large picture

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/C29H34NO4/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/h2-10,12-17,27,32H,11,18-23H2,1H3/q+1/t27-,30?/m0/s1