1-[[2-(6-fluoranylpyridin-2-yl)imidazol-1-yl]methyl]-1-propyl-benzimidazol-1-ium-2-carbonitrile

Systemtic Name: 1-[[2-(6-fluoranylpyridin-2-yl)imidazol-1-yl]methyl]-1-propyl-benzimidazol-1-ium-2-carbonitrile Openeye Name: 1-[[2-(6-fluoro-2-pyridyl)imidazol-1-yl]methyl]-1-propyl-benzimidazol-1-ium-2-carbonitrile CAS Name: 1-[[2-(6-fluoro-2-pyridinyl)-1-imidazolyl]methyl]-1-propyl-2-benzimidazol-1-iumcarbonitrile IUPAC Name: 1-[[2-(6-fluoropyridin-2-yl)imidazol-1-yl]methyl]-1-propylbenzimidazol-1-ium-2-carbonitrile Traditional Name: 1-[[2-(6-fluoro-2-pyridyl)imidazol-1-yl]methyl]-1-propyl-benzimidazol-1-ium-2-carbonitrile Formula: C20H18FN6+ MolecularWeight: 361.395523

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1(C2=CC=CC=C2N=C1C#N)CN3C=CN=C3C4=NC(=CC=C4)F

Isomeric SMILES

CCC[N+]1(C2=CC=CC=C2N=C1C#N)CN3C=CN=C3C4=NC(=CC=C4)F

InChI

InChI=1S/C20H18FN6/c1-2-12-27(17-8-4-3-6-15(17)25-19(27)13-22)14-26-11-10-23-20(26)16-7-5-9-18(21)24-16/h3-11H,2,12,14H2,1H3/q+1