2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-ium-1-yl]-N-(3-ethanoylphenyl)ethanamide

Systemtic Name: 2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-ium-1-yl]-N-(3-ethanoylphenyl)ethanamide Openeye Name: N-(3-acetylphenyl)-2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-acetylphenyl)-2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-acetylphenyl)-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-acetylphenyl)-2-[4-(coumaran-5-ylmethyl)piperazin-1-ium-1-yl]acetamide Formula: C23H28N3O3+ MolecularWeight: 394.48672

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)C[NH+]2CCN(CC2)CC3=CC4=C(C=C3)OCC4

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)C[NH+]2CCN(CC2)CC3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C23H27N3O3/c1-17(27)19-3-2-4-21(14-19)24-23(28)16-26-10-8-25(9-11-26)15-18-5-6-22-20(13-18)7-12-29-22/h2-6,13-14H,7-12,15-16H2,1H3,(H,24,28)/p+1