2-[4-[2-(6-methoxy-1-benzofuran-3-yl)ethanoyl]piperazin-1-ium-1-yl]-N-propyl-ethanamide

Systemtic Name: 2-[4-[2-(6-methoxy-1-benzofuran-3-yl)ethanoyl]piperazin-1-ium-1-yl]-N-propyl-ethanamide Openeye Name: 2-[4-[2-(6-methoxybenzofuran-3-yl)acetyl]piperazin-1-ium-1-yl]-N-propyl-acetamide CAS Name: 2-[4-[2-(6-methoxy-3-benzofuranyl)-1-oxoethyl]-1-piperazin-1-iumyl]-N-propylacetamide IUPAC Name: 2-[4-[2-(6-methoxy-1-benzofuran-3-yl)acetyl]piperazin-1-ium-1-yl]-N-propylacetamide Traditional Name: 2-[4-[2-(6-methoxybenzofuran-3-yl)acetyl]piperazin-1-ium-1-yl]-N-propyl-acetamide Formula: C20H28N3O4+ MolecularWeight: 374.45402

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C[NH+]1CCN(CC1)C(=O)CC2=COC3=C2C=CC(=C3)OC

Isomeric SMILES

CCCNC(=O)C[NH+]1CCN(CC1)C(=O)CC2=COC3=C2C=CC(=C3)OC

InChI

InChI=1S/C20H27N3O4/c1-3-6-21-19(24)13-22-7-9-23(10-8-22)20(25)11-15-14-27-18-12-16(26-2)4-5-17(15)18/h4-5,12,14H,3,6-11,13H2,1-2H3,(H,21,24)/p+1