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

Systemtic Name: [(2R)-1-methyl-1-phenethyl-pyrrolidin-1-ium-2-yl]methyl 2-oxidanyl-2,2-diphenyl-ethanoate Openeye Name: [(2R)-1-methyl-1-phenethyl-pyrrolidin-1-ium-2-yl]methyl 2-hydroxy-2,2-diphenyl-acetate CAS Name: 2-hydroxy-2,2-diphenylacetic acid [(2R)-1-methyl-1-phenethyl-2-pyrrolidin-1-iumyl]methyl ester IUPAC Name: [(2R)-1-methyl-1-phenethylpyrrolidin-1-ium-2-yl]methyl 2-hydroxy-2,2-diphenylacetate Traditional Name: 2-hydroxy-2,2-diphenyl-acetic acid [(2R)-1-methyl-1-phenethyl-pyrrolidin-1-ium-2-yl]methyl ester Formula: C28H32NO3+ MolecularWeight: 430.55858

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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)CCC4=CC=CC=C4

Isomeric SMILES

C[N+]1(CCC[C@@H]1COC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)CCC4=CC=CC=C4

InChI

InChI=1S/C28H32NO3/c1-29(21-19-23-12-5-2-6-13-23)20-11-18-26(29)22-32-27(30)28(31,24-14-7-3-8-15-24)25-16-9-4-10-17-25/h2-10,12-17,26,31H,11,18-22H2,1H3/q+1/t26-,29?/m1/s1