N-(6-ethanoyl-1,3-benzodioxol-5-yl)-2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(6-ethanoyl-1,3-benzodioxol-5-yl)-2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(2-furoyl)piperazin-1-ium-1-yl]acetamide Formula: C20H22N3O6+ MolecularWeight: 400.40518

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)C[NH+]3CCN(CC3)C(=O)C4=CC=CO4)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)C[NH+]3CCN(CC3)C(=O)C4=CC=CO4)OCO2

InChI

InChI=1S/C20H21N3O6/c1-13(24)14-9-17-18(29-12-28-17)10-15(14)21-19(25)11-22-4-6-23(7-5-22)20(26)16-3-2-8-27-16/h2-3,8-10H,4-7,11-12H2,1H3,(H,21,25)/p+1