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

Systemtic Name: [(2R)-1-methyl-1-(3-phenoxypropyl)pyrrolidin-1-ium-2-yl]methyl 2-oxidanyl-2,2-diphenyl-ethanoate Openeye Name: [(2R)-1-methyl-1-(3-phenoxypropyl)pyrrolidin-1-ium-2-yl]methyl 2-hydroxy-2,2-diphenyl-acetate CAS Name: 2-hydroxy-2,2-diphenylacetic acid [(2R)-1-methyl-1-(3-phenoxypropyl)-2-pyrrolidin-1-iumyl]methyl ester IUPAC Name: [(2R)-1-methyl-1-(3-phenoxypropyl)pyrrolidin-1-ium-2-yl]methyl 2-hydroxy-2,2-diphenylacetate Traditional Name: 2-hydroxy-2,2-diphenyl-acetic acid [(2R)-1-methyl-1-(3-phenoxypropyl)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)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/C29H34NO4/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/h2-10,13-16,18-19,26,32H,11-12,17,20-23H2,1H3/q+1/t26-,30?/m1/s1