2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]-N-(2-methyl-6-nitro-phenyl)ethanamide

Systemtic Name: 2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]-N-(2-methyl-6-nitro-phenyl)ethanamide Openeye Name: 2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-N-(2-methyl-6-nitro-phenyl)acetamide CAS Name: 2-[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]-N-(2-methyl-6-nitrophenyl)acetamide IUPAC Name: 2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-N-(2-methyl-6-nitrophenyl)acetamide Traditional Name: 2-[4-(2-furoyl)piperazin-1-ium-1-yl]-N-(2-methyl-6-nitro-phenyl)acetamide Formula: C18H21N4O5+ MolecularWeight: 373.38314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CO3

Isomeric SMILES

CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CO3

InChI

InChI=1S/C18H20N4O5/c1-13-4-2-5-14(22(25)26)17(13)19-16(23)12-20-7-9-21(10-8-20)18(24)15-6-3-11-27-15/h2-6,11H,7-10,12H2,1H3,(H,19,23)/p+1