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

Systemtic Name: 2-[4-[[3-(ethoxymethyl)-1-benzofuran-2-yl]carbonyl]piperazin-1-ium-1-yl]-N-(4-methylphenyl)ethanamide Openeye Name: 2-[4-[3-(ethoxymethyl)benzofuran-2-carbonyl]piperazin-1-ium-1-yl]-N-(p-tolyl)acetamide CAS Name: 2-[4-[[3-(ethoxymethyl)-2-benzofuranyl]-oxomethyl]-1-piperazin-1-iumyl]-N-(4-methylphenyl)acetamide IUPAC Name: 2-[4-[3-(ethoxymethyl)-1-benzofuran-2-carbonyl]piperazin-1-ium-1-yl]-N-(4-methylphenyl)acetamide Traditional Name: 2-[4-[3-(ethoxymethyl)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:

CCOCC1=C(OC2=CC=CC=C21)C(=O)N3CC[NH+](CC3)CC(=O)NC4=CC=C(C=C4)C

Isomeric SMILES

CCOCC1=C(OC2=CC=CC=C21)C(=O)N3CC[NH+](CC3)CC(=O)NC4=CC=C(C=C4)C

InChI

InChI=1S/C25H29N3O4/c1-3-31-17-21-20-6-4-5-7-22(20)32-24(21)25(30)28-14-12-27(13-15-28)16-23(29)26-19-10-8-18(2)9-11-19/h4-11H,3,12-17H2,1-2H3,(H,26,29)/p+1