1-(3-fluoranylpropyl)-1-(3-fluorophenyl)-2-methyl-4-(1H-pyrazol-5-yl)benzimidazol-1-ium

Systemtic Name: 1-(3-fluoranylpropyl)-1-(3-fluorophenyl)-2-methyl-4-(1H-pyrazol-5-yl)benzimidazol-1-ium Openeye Name: 1-(3-fluorophenyl)-1-(3-fluoropropyl)-2-methyl-4-(1H-pyrazol-5-yl)benzimidazol-1-ium CAS Name: 1-(3-fluorophenyl)-1-(3-fluoropropyl)-2-methyl-4-(1H-pyrazol-5-yl)benzimidazol-1-ium IUPAC Name: 1-(3-fluorophenyl)-1-(3-fluoropropyl)-2-methyl-4-(1H-pyrazol-5-yl)benzimidazol-1-ium Traditional Name: 1-(3-fluorophenyl)-1-(3-fluoropropyl)-2-methyl-4-(1H-pyrazol-5-yl)benzimidazol-1-ium Formula: C20H19F2N4+ MolecularWeight: 353.388466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2[N+]1(CCCF)C3=CC(=CC=C3)F)C4=CC=NN4

Isomeric SMILES

CC1=NC2=C(C=CC=C2[N+]1(CCCF)C3=CC(=CC=C3)F)C4=CC=NN4

InChI

InChI=1S/C20H19F2N4/c1-14-24-20-17(18-9-11-23-25-18)7-3-8-19(20)26(14,12-4-10-21)16-6-2-5-15(22)13-16/h2-3,5-9,11,13H,4,10,12H2,1H3,(H,23,25)/q+1