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

Systemtic Name: N-cyclopropyl-2-[4-[[3-(ethoxymethyl)-1-benzofuran-2-yl]carbonyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-cyclopropyl-2-[4-[3-(ethoxymethyl)benzofuran-2-carbonyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-cyclopropyl-2-[4-[[3-(ethoxymethyl)-2-benzofuranyl]-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-cyclopropyl-2-[4-[3-(ethoxymethyl)-1-benzofuran-2-carbonyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-cyclopropyl-2-[4-[3-(ethoxymethyl)benzofuran-2-carbonyl]piperazin-1-ium-1-yl]acetamide Formula: C21H28N3O4+ MolecularWeight: 386.46472

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=C(OC2=CC=CC=C21)C(=O)N3CC[NH+](CC3)CC(=O)NC4CC4

Isomeric SMILES

CCOCC1=C(OC2=CC=CC=C21)C(=O)N3CC[NH+](CC3)CC(=O)NC4CC4

InChI

InChI=1S/C21H27N3O4/c1-2-27-14-17-16-5-3-4-6-18(16)28-20(17)21(26)24-11-9-23(10-12-24)13-19(25)22-15-7-8-15/h3-6,15H,2,7-14H2,1H3,(H,22,25)/p+1