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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C([N+]1(C(C)C)C(F)(F)F)C(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCC1=NC2=C([N+]1(C(C)C)C(F)(F)F)C(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C14H16ClF3N3O2/c1-4-5-11-19-10-7-6-9(15)12(20(22)23)13(10)21(11,8(2)3)14(16,17)18/h6-8H,4-5H2,1-3H3/q+1