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

Systemtic Name: N-cyclopropyl-2-[4-[[3-(phenoxymethyl)-1-benzofuran-2-yl]carbonyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-cyclopropyl-2-[4-[3-(phenoxymethyl)benzofuran-2-carbonyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-cyclopropyl-2-[4-[oxo-[3-(phenoxymethyl)-2-benzofuranyl]methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-cyclopropyl-2-[4-[3-(phenoxymethyl)-1-benzofuran-2-carbonyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-cyclopropyl-2-[4-[3-(phenoxymethyl)benzofuran-2-carbonyl]piperazin-1-ium-1-yl]acetamide Formula: C25H28N3O4+ MolecularWeight: 434.50752

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=C(C4=CC=CC=C4O3)COC5=CC=CC=C5

Isomeric SMILES

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=C(C4=CC=CC=C4O3)COC5=CC=CC=C5

InChI

InChI=1S/C25H27N3O4/c29-23(26-18-10-11-18)16-27-12-14-28(15-13-27)25(30)24-21(17-31-19-6-2-1-3-7-19)20-8-4-5-9-22(20)32-24/h1-9,18H,10-17H2,(H,26,29)/p+1