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

Systemtic Name: 2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-ium-1-yl]-N-(4-iodanyl-2-methyl-phenyl)ethanamide Openeye Name: 2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-ium-1-yl]-N-(4-iodo-2-methyl-phenyl)acetamide CAS Name: 2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-1-iumyl]-N-(4-iodo-2-methylphenyl)acetamide IUPAC Name: 2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-ium-1-yl]-N-(4-iodo-2-methylphenyl)acetamide Traditional Name: 2-[4-(coumaran-5-ylmethyl)piperazin-1-ium-1-yl]-N-(4-iodo-2-methyl-phenyl)acetamide Formula: C22H27IN3O2+ MolecularWeight: 492.37315

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)I)NC(=O)C[NH+]2CCN(CC2)CC3=CC4=C(C=C3)OCC4

Isomeric SMILES

CC1=C(C=CC(=C1)I)NC(=O)C[NH+]2CCN(CC2)CC3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C22H26IN3O2/c1-16-12-19(23)3-4-20(16)24-22(27)15-26-9-7-25(8-10-26)14-17-2-5-21-18(13-17)6-11-28-21/h2-5,12-13H,6-11,14-15H2,1H3,(H,24,27)/p+1