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

Systemtic Name: 2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]-2-(6-nitro-1,3-benzodioxol-5-yl)-N-(4-propan-2-ylphenyl)ethanamide Openeye Name: 2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-N-(4-isopropylphenyl)-2-(6-nitro-1,3-benzodioxol-5-yl)acetamide CAS Name: 2-[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]-2-(6-nitro-1,3-benzodioxol-5-yl)-N-(4-propan-2-ylphenyl)acetamide IUPAC Name: 2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-2-(6-nitro-1,3-benzodioxol-5-yl)-N-(4-propan-2-ylphenyl)acetamide Traditional Name: 2-[4-(2-furoyl)piperazin-1-ium-1-yl]-2-(6-nitro-1,3-benzodioxol-5-yl)-N-p-cumenyl-acetamide Formula: C27H29N4O7+ MolecularWeight: 521.54176

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=O)C(C2=CC3=C(C=C2[N+](=O)[O-])OCO3)[NH+]4CCN(CC4)C(=O)C5=CC=CO5

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=O)C(C2=CC3=C(C=C2[N+](=O)[O-])OCO3)[NH+]4CCN(CC4)C(=O)C5=CC=CO5

InChI

InChI=1S/C27H28N4O7/c1-17(2)18-5-7-19(8-6-18)28-26(32)25(20-14-23-24(38-16-37-23)15-21(20)31(34)35)29-9-11-30(12-10-29)27(33)22-4-3-13-36-22/h3-8,13-15,17,25H,9-12,16H2,1-2H3,(H,28,32)/p+1