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

Systemtic Name: 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-(diphenylmethyl)pyrrolidin-1-ium Openeye Name: 1-benzhydryl-1-[2-(2,3-dihydrobenzofuran-5-yl)ethyl]pyrrolidin-1-ium CAS Name: 1-[2-(2,3-dihydrobenzofuran-5-yl)ethyl]-1-(diphenylmethyl)pyrrolidin-1-ium IUPAC Name: 1-benzhydryl-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-1-ium Traditional Name: 1-benzhydryl-1-(2-coumaran-5-ylethyl)pyrrolidin-1-ium Formula: C27H30NO+ MolecularWeight: 384.5332

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](C1)(CCC2=CC3=C(C=C2)OCC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CC[N+](C1)(CCC2=CC3=C(C=C2)OCC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H30NO/c1-3-9-23(10-4-1)27(24-11-5-2-6-12-24)28(17-7-8-18-28)19-15-22-13-14-26-25(21-22)16-20-29-26/h1-6,9-14,21,27H,7-8,15-20H2/q+1