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

Systemtic Name: 2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(3,4-dimethoxyphenyl)ethanamide Openeye Name: 2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(3,4-dimethoxyphenyl)acetamide CAS Name: 2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazine-1,4-diiumyl]-N-(3,4-dimethoxyphenyl)acetamide IUPAC Name: 2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(3,4-dimethoxyphenyl)acetamide Traditional Name: 2-[4-(coumaran-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(3,4-dimethoxyphenyl)acetamide Formula: C23H31N3O4+2 MolecularWeight: 413.50994

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3)OCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3)OCC4)OC

InChI

InChI=1S/C23H29N3O4/c1-28-21-6-4-19(14-22(21)29-2)24-23(27)16-26-10-8-25(9-11-26)15-17-3-5-20-18(13-17)7-12-30-20/h3-6,13-14H,7-12,15-16H2,1-2H3,(H,24,27)/p+2