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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[NH+](C)C[C@H](C1=CC=CC=C1)NC(=O)C2=CC=C(O2)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H20ClN3O4/c1-24(2)13-18(14-6-4-3-5-7-14)23-21(26)20-11-10-19(29-20)16-9-8-15(25(27)28)12-17(16)22/h3-12,18H,13H2,1-2H3,(H,23,26)/p+1/t18-/m1/s1