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

Systemtic Name: 2-[4-(2,3-dihydro-1-benzofuran-5-ylcarbonyl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-(2,3-dihydrobenzofuran-5-carbonyl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[2,3-dihydrobenzofuran-5-yl(oxo)methyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-(2,3-dihydro-1-benzofuran-5-carbonyl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-(coumaran-5-carbonyl)piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C19H26N3O3+ MolecularWeight: 344.42804

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC4=C(C=C3)OCC4

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C19H25N3O3/c23-18(21-6-1-2-7-21)14-20-8-10-22(11-9-20)19(24)16-3-4-17-15(13-16)5-12-25-17/h3-4,13H,1-2,5-12,14H2/p+1