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

Systemtic Name: 2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(2-methylbutan-2-yl)ethanamide Openeye Name: 2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(1,1-dimethylpropyl)acetamide CAS Name: 2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazine-1,4-diiumyl]-N-(2-methylbutan-2-yl)acetamide IUPAC Name: 2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(2-methylbutan-2-yl)acetamide Traditional Name: N-tert-amyl-2-[4-(coumaran-5-ylmethyl)piperazine-1,4-diium-1-yl]acetamide Formula: C20H33N3O2+2 MolecularWeight: 347.49492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N3O2/c1-4-20(2,3)21-19(24)15-23-10-8-22(9-11-23)14-16-5-6-18-17(13-16)7-12-25-18/h5-6,13H,4,7-12,14-15H2,1-3H3,(H,21,24)/p+2