N-(5-chloranyl-2-nitro-phenyl)-2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(5-chloranyl-2-nitro-phenyl)-2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(5-chloro-2-nitro-phenyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(5-chloro-2-nitrophenyl)-2-[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(5-chloro-2-nitrophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(5-chloro-2-nitro-phenyl)-2-[4-(2-furoyl)piperazin-1-ium-1-yl]acetamide Formula: C17H18ClN4O5+ MolecularWeight: 393.80162

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=C(C=CC(=C2)Cl)[N+](=O)[O-])C(=O)C3=CC=CO3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=C(C=CC(=C2)Cl)[N+](=O)[O-])C(=O)C3=CC=CO3

InChI

InChI=1S/C17H17ClN4O5/c18-12-3-4-14(22(25)26)13(10-12)19-16(23)11-20-5-7-21(8-6-20)17(24)15-2-1-9-27-15/h1-4,9-10H,5-8,11H2,(H,19,23)/p+1