[4-[[[5-(2-chloranyl-4-nitro-phenyl)furan-2-yl]carbonylamino]methyl]phenyl]methyl-dimethyl-azanium

Systemtic Name: [4-[[[5-(2-chloranyl-4-nitro-phenyl)furan-2-yl]carbonylamino]methyl]phenyl]methyl-dimethyl-azanium Openeye Name: [4-[[[5-(2-chloro-4-nitro-phenyl)furan-2-carbonyl]amino]methyl]phenyl]methyl-dimethyl-ammonium CAS Name: [4-[[[[5-(2-chloro-4-nitrophenyl)-2-furanyl]-oxomethyl]amino]methyl]phenyl]methyl-dimethylammonium IUPAC Name: [4-[[[5-(2-chloro-4-nitrophenyl)furan-2-carbonyl]amino]methyl]phenyl]methyl-dimethylazanium Traditional Name: [4-[[[5-(2-chloro-4-nitro-phenyl)-2-furoyl]amino]methyl]benzyl]-dimethyl-ammonium Formula: C21H21ClN3O4+ MolecularWeight: 414.86214

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=CC=C(C=C1)CNC(=O)C2=CC=C(O2)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C[NH+](C)CC1=CC=C(C=C1)CNC(=O)C2=CC=C(O2)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H20ClN3O4/c1-24(2)13-15-5-3-14(4-6-15)12-23-21(26)20-10-9-19(29-20)17-8-7-16(25(27)28)11-18(17)22/h3-11H,12-13H2,1-2H3,(H,23,26)/p+1