(2-azanyl-2-oxidanylidene-ethyl)-[[1-(4-fluorophenyl)-5-nitro-benzimidazol-2-yl]methyl]-propan-2-yl-azanium

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl)-[[1-(4-fluorophenyl)-5-nitro-benzimidazol-2-yl]methyl]-propan-2-yl-azanium Openeye Name: (2-amino-2-oxo-ethyl)-[[1-(4-fluorophenyl)-5-nitro-benzimidazol-2-yl]methyl]-isopropyl-ammonium CAS Name: (2-amino-2-oxoethyl)-[[1-(4-fluorophenyl)-5-nitro-2-benzimidazolyl]methyl]-propan-2-ylammonium IUPAC Name: (2-amino-2-oxoethyl)-[[1-(4-fluorophenyl)-5-nitrobenzimidazol-2-yl]methyl]-propan-2-ylazanium Traditional Name: (2-amino-2-keto-ethyl)-[[1-(4-fluorophenyl)-5-nitro-benzimidazol-2-yl]methyl]-isopropyl-ammonium Formula: C19H21FN5O3+ MolecularWeight: 386.400143

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CC1=NC2=C(N1C3=CC=C(C=C3)F)C=CC(=C2)[N+](=O)[O-])CC(=O)N

Isomeric SMILES

CC(C)[NH+](CC1=NC2=C(N1C3=CC=C(C=C3)F)C=CC(=C2)[N+](=O)[O-])CC(=O)N

InChI

InChI=1S/C19H20FN5O3/c1-12(2)23(10-18(21)26)11-19-22-16-9-15(25(27)28)7-8-17(16)24(19)14-5-3-13(20)4-6-14/h3-9,12H,10-11H2,1-2H3,(H2,21,26)/p+1