1-[2,4-bis(fluoranyl)phenyl]-2-methyl-N-(pyridin-3-ylmethyl)-3H-benzimidazol-1-ium-5-carboxamide

Systemtic Name: 1-[2,4-bis(fluoranyl)phenyl]-2-methyl-N-(pyridin-3-ylmethyl)-3H-benzimidazol-1-ium-5-carboxamide Openeye Name: 1-(2,4-difluorophenyl)-2-methyl-N-(3-pyridylmethyl)-3H-benzimidazol-1-ium-5-carboxamide CAS Name: 1-(2,4-difluorophenyl)-2-methyl-N-(3-pyridinylmethyl)-3H-benzimidazol-1-ium-5-carboxamide IUPAC Name: 1-(2,4-difluorophenyl)-2-methyl-N-(pyridin-3-ylmethyl)-3H-benzimidazol-1-ium-5-carboxamide Traditional Name: 1-(2,4-difluorophenyl)-2-methyl-N-(3-pyridylmethyl)-3H-benzimidazol-1-ium-5-carboxamide Formula: C21H17F2N4O+ MolecularWeight: 379.382686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(N1)C=C(C=C2)C(=O)NCC3=CN=CC=C3)C4=C(C=C(C=C4)F)F

Isomeric SMILES

CC1=[N+](C2=C(N1)C=C(C=C2)C(=O)NCC3=CN=CC=C3)C4=C(C=C(C=C4)F)F

InChI

InChI=1S/C21H16F2N4O/c1-13-26-18-9-15(21(28)25-12-14-3-2-8-24-11-14)4-6-20(18)27(13)19-7-5-16(22)10-17(19)23/h2-11H,12H2,1H3,(H,25,28)/p+1