2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(3-ethylpent-1-yn-3-yl)ethanamide

Systemtic Name: 2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(3-ethylpent-1-yn-3-yl)ethanamide Openeye Name: N-(1,1-diethylprop-2-ynyl)-2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]acetamide CAS Name: 2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazine-1,4-diiumyl]-N-(3-ethylpent-1-yn-3-yl)acetamide IUPAC Name: 2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(3-ethylpent-1-yn-3-yl)acetamide Traditional Name: 2-[4-(coumaran-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(1,1-diethylprop-2-ynyl)acetamide Formula: C22H33N3O2+2 MolecularWeight: 371.51632

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#C)NC(=O)C[NH+]1CC[NH+](CC1)CC2=CC3=C(C=C2)OCC3

Isomeric SMILES

CCC(CC)(C#C)NC(=O)C[NH+]1CC[NH+](CC1)CC2=CC3=C(C=C2)OCC3

InChI

InChI=1S/C22H31N3O2/c1-4-22(5-2,6-3)23-21(26)17-25-12-10-24(11-13-25)16-18-7-8-20-19(15-18)9-14-27-20/h1,7-8,15H,5-6,9-14,16-17H2,2-3H3,(H,23,26)/p+2