(2R)-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-ium-1-yl]-2-phenyl-1-pyrrolidin-1-yl-ethanone

Systemtic Name: (2R)-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-ium-1-yl]-2-phenyl-1-pyrrolidin-1-yl-ethanone Openeye Name: (2R)-2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-ium-1-yl]-2-phenyl-1-pyrrolidin-1-yl-ethanone CAS Name: (2R)-2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-1-iumyl]-2-phenyl-1-(1-pyrrolidinyl)ethanone IUPAC Name: (2R)-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-ium-1-yl]-2-phenyl-1-pyrrolidin-1-ylethanone Traditional Name: (2R)-2-[4-(coumaran-5-ylmethyl)piperazin-1-ium-1-yl]-2-phenyl-1-pyrrolidino-ethanone Formula: C25H32N3O2+ MolecularWeight: 406.54048

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C(C2=CC=CC=C2)[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCC5

Isomeric SMILES

C1CCN(C1)C(=O)[C@@H](C2=CC=CC=C2)[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCC5

InChI

InChI=1S/C25H31N3O2/c29-25(28-11-4-5-12-28)24(21-6-2-1-3-7-21)27-15-13-26(14-16-27)19-20-8-9-23-22(18-20)10-17-30-23/h1-3,6-9,18,24H,4-5,10-17,19H2/p+1/t24-/m1/s1