2-[(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-1-ium-3-yl]-2,2-diphenyl-ethanamide

Systemtic Name: 2-[(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-1-ium-3-yl]-2,2-diphenyl-ethanamide Openeye Name: 2-[(3S)-1-[2-(2,3-dihydrobenzofuran-5-yl)ethyl]pyrrolidin-1-ium-3-yl]-2,2-diphenyl-acetamide CAS Name: 2-[(3S)-1-[2-(2,3-dihydrobenzofuran-5-yl)ethyl]-3-pyrrolidin-1-iumyl]-2,2-diphenylacetamide IUPAC Name: 2-[(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-1-ium-3-yl]-2,2-diphenylacetamide Traditional Name: 2-[(3S)-1-(2-coumaran-5-ylethyl)pyrrolidin-1-ium-3-yl]-2,2-diphenyl-acetamide Formula: C28H31N2O2+ MolecularWeight: 427.55794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC1C(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)N)CCC4=CC5=C(C=C4)OCC5

Isomeric SMILES

C1C[NH+](C[C@@H]1C(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)N)CCC4=CC5=C(C=C4)OCC5

InChI

InChI=1S/C28H30N2O2/c29-27(31)28(23-7-3-1-4-8-23,24-9-5-2-6-10-24)25-14-17-30(20-25)16-13-21-11-12-26-22(19-21)15-18-32-26/h1-12,19,25H,13-18,20H2,(H2,29,31)/p+1/t25-/m1/s1