2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(2-ethyl-6-methyl-phenyl)ethanamide

Systemtic Name: 2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(2-ethyl-6-methyl-phenyl)ethanamide Openeye Name: 2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(2-ethyl-6-methyl-phenyl)acetamide CAS Name: 2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazine-1,4-diiumyl]-N-(2-ethyl-6-methylphenyl)acetamide IUPAC Name: 2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide Traditional Name: 2-[4-(coumaran-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(2-ethyl-6-methyl-phenyl)acetamide Formula: C24H33N3O2+2 MolecularWeight: 395.53772

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3)OCC4)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3)OCC4)C

InChI

InChI=1S/C24H31N3O2/c1-3-20-6-4-5-18(2)24(20)25-23(28)17-27-12-10-26(11-13-27)16-19-7-8-22-21(15-19)9-14-29-22/h4-8,15H,3,9-14,16-17H2,1-2H3,(H,25,28)/p+2