5-(2-chloranyl-4-nitro-phenyl)-N-(4-methylpiperazin-4-ium-1-yl)furan-2-carboxamide

Systemtic Name: 5-(2-chloranyl-4-nitro-phenyl)-N-(4-methylpiperazin-4-ium-1-yl)furan-2-carboxamide Openeye Name: 5-(2-chloro-4-nitro-phenyl)-N-(4-methylpiperazin-4-ium-1-yl)furan-2-carboxamide CAS Name: 5-(2-chloro-4-nitrophenyl)-N-(4-methyl-1-piperazin-4-iumyl)-2-furancarboxamide IUPAC Name: 5-(2-chloro-4-nitrophenyl)-N-(4-methylpiperazin-4-ium-1-yl)furan-2-carboxamide Traditional Name: 5-(2-chloro-4-nitro-phenyl)-N-(4-methylpiperazin-4-ium-1-yl)-2-furamide Formula: C16H18ClN4O4+ MolecularWeight: 365.79152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)NC(=O)C2=CC=C(O2)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C[NH+]1CCN(CC1)NC(=O)C2=CC=C(O2)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H17ClN4O4/c1-19-6-8-20(9-7-19)18-16(22)15-5-4-14(25-15)12-3-2-11(21(23)24)10-13(12)17/h2-5,10H,6-9H2,1H3,(H,18,22)/p+1