6-chloranyl-7-nitro-1-propan-2-yl-1-propyl-2-(trifluoromethyl)benzimidazol-1-ium

Systemtic Name: 6-chloranyl-7-nitro-1-propan-2-yl-1-propyl-2-(trifluoromethyl)benzimidazol-1-ium Openeye Name: 6-chloro-1-isopropyl-7-nitro-1-propyl-2-(trifluoromethyl)benzimidazol-1-ium CAS Name: 6-chloro-7-nitro-1-propan-2-yl-1-propyl-2-(trifluoromethyl)benzimidazol-1-ium IUPAC Name: 6-chloro-7-nitro-1-propan-2-yl-1-propyl-2-(trifluoromethyl)benzimidazol-1-ium Traditional Name: 6-chloro-1-isopropyl-7-nitro-1-propyl-2-(trifluoromethyl)benzimidazol-1-ium Formula: C14H16ClF3N3O2+ MolecularWeight: 350.74395

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1(C2=C(C=CC(=C2[N+](=O)[O-])Cl)N=C1C(F)(F)F)C(C)C

Isomeric SMILES

CCC[N+]1(C2=C(C=CC(=C2[N+](=O)[O-])Cl)N=C1C(F)(F)F)C(C)C

InChI

InChI=1S/C14H16ClF3N3O2/c1-4-7-21(8(2)3)12-10(19-13(21)14(16,17)18)6-5-9(15)11(12)20(22)23/h5-6,8H,4,7H2,1-3H3/q+1