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

Systemtic Name: [1-(4-fluorophenyl)-5-nitro-benzimidazol-2-yl]methyl-methyl-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]azanium Openeye Name: [1-(4-fluorophenyl)-5-nitro-benzimidazol-2-yl]methyl-[2-(isopropylamino)-2-oxo-ethyl]-methyl-ammonium CAS Name: [1-(4-fluorophenyl)-5-nitro-2-benzimidazolyl]methyl-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]ammonium IUPAC Name: [1-(4-fluorophenyl)-5-nitrobenzimidazol-2-yl]methyl-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium Traditional Name: [1-(4-fluorophenyl)-5-nitro-benzimidazol-2-yl]methyl-[2-(isopropylamino)-2-keto-ethyl]-methyl-ammonium Formula: C20H23FN5O3+ MolecularWeight: 400.426723

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22FN5O3/c1-13(2)22-20(27)12-24(3)11-19-23-17-10-16(26(28)29)8-9-18(17)25(19)15-6-4-14(21)5-7-15/h4-10,13H,11-12H2,1-3H3,(H,22,27)/p+1