2-[4-[(5-ethoxy-3-methyl-1-benzofuran-2-yl)carbonyl]piperazin-1-ium-1-yl]-N-(4-methylphenyl)ethanamide

Systemtic Name: 2-[4-[(5-ethoxy-3-methyl-1-benzofuran-2-yl)carbonyl]piperazin-1-ium-1-yl]-N-(4-methylphenyl)ethanamide Openeye Name: 2-[4-(5-ethoxy-3-methyl-benzofuran-2-carbonyl)piperazin-1-ium-1-yl]-N-(p-tolyl)acetamide CAS Name: 2-[4-[(5-ethoxy-3-methyl-2-benzofuranyl)-oxomethyl]-1-piperazin-1-iumyl]-N-(4-methylphenyl)acetamide IUPAC Name: 2-[4-(5-ethoxy-3-methyl-1-benzofuran-2-carbonyl)piperazin-1-ium-1-yl]-N-(4-methylphenyl)acetamide Traditional Name: 2-[4-(5-ethoxy-3-methyl-benzofuran-2-carbonyl)piperazin-1-ium-1-yl]-N-(p-tolyl)acetamide Formula: C25H30N3O4+ MolecularWeight: 436.5234

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)OC(=C2C)C(=O)N3CC[NH+](CC3)CC(=O)NC4=CC=C(C=C4)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)OC(=C2C)C(=O)N3CC[NH+](CC3)CC(=O)NC4=CC=C(C=C4)C

InChI

InChI=1S/C25H29N3O4/c1-4-31-20-9-10-22-21(15-20)18(3)24(32-22)25(30)28-13-11-27(12-14-28)16-23(29)26-19-7-5-17(2)6-8-19/h5-10,15H,4,11-14,16H2,1-3H3,(H,26,29)/p+1