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

Systemtic Name: 2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-ium-1-yl]-N-(3,5-dimethoxyphenyl)ethanamide Openeye Name: 2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-ium-1-yl]-N-(3,5-dimethoxyphenyl)acetamide CAS Name: 2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-1-iumyl]-N-(3,5-dimethoxyphenyl)acetamide IUPAC Name: 2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-ium-1-yl]-N-(3,5-dimethoxyphenyl)acetamide Traditional Name: 2-[4-(coumaran-5-ylmethyl)piperazin-1-ium-1-yl]-N-(3,5-dimethoxyphenyl)acetamide Formula: C23H30N3O4+ MolecularWeight: 412.502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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