N-[(5-chloranyl-3-propyl-1H-benzimidazol-3-ium-2-yl)methyl]-2,3,6-tris(fluoranyl)-N-propyl-benzamide

Systemtic Name: N-[(5-chloranyl-3-propyl-1H-benzimidazol-3-ium-2-yl)methyl]-2,3,6-tris(fluoranyl)-N-propyl-benzamide Openeye Name: N-[(5-chloro-3-propyl-1H-benzimidazol-3-ium-2-yl)methyl]-2,3,6-trifluoro-N-propyl-benzamide CAS Name: N-[(5-chloro-3-propyl-1H-benzimidazol-3-ium-2-yl)methyl]-2,3,6-trifluoro-N-propylbenzamide IUPAC Name: N-[(5-chloro-3-propyl-1H-benzimidazol-3-ium-2-yl)methyl]-2,3,6-trifluoro-N-propylbenzamide Traditional Name: N-[(5-chloro-3-propyl-1H-benzimidazol-3-ium-2-yl)methyl]-2,3,6-trifluoro-N-propyl-benzamide Formula: C21H22ClF3N3O+ MolecularWeight: 424.86709

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=C(NC2=C1C=C(C=C2)Cl)CN(CCC)C(=O)C3=C(C=CC(=C3F)F)F

Isomeric SMILES

CCC[N+]1=C(NC2=C1C=C(C=C2)Cl)CN(CCC)C(=O)C3=C(C=CC(=C3F)F)F

InChI

InChI=1S/C21H21ClF3N3O/c1-3-9-27(21(29)19-14(23)6-7-15(24)20(19)25)12-18-26-16-8-5-13(22)11-17(16)28(18)10-4-2/h5-8,11H,3-4,9-10,12H2,1-2H3/p+1