1-(3-chloranyl-4-fluoranyl-phenyl)-1,3-diethyl-6-methyl-7-(1H-pyrazol-4-yl)benzimidazol-1-ium-2-one

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-1,3-diethyl-6-methyl-7-(1H-pyrazol-4-yl)benzimidazol-1-ium-2-one Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-1,3-diethyl-6-methyl-7-(1H-pyrazol-4-yl)benzimidazol-1-ium-2-one CAS Name: 1-(3-chloro-4-fluorophenyl)-1,3-diethyl-6-methyl-7-(1H-pyrazol-4-yl)-2-benzimidazol-1-iumone IUPAC Name: 1-(3-chloro-4-fluorophenyl)-1,3-diethyl-6-methyl-7-(1H-pyrazol-4-yl)benzimidazol-1-ium-2-one Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-1,3-diethyl-6-methyl-7-(1H-pyrazol-4-yl)benzimidazol-1-ium-2-one Formula: C21H21ClFN4O+ MolecularWeight: 399.869043

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=C(C=C2)C)C3=CNN=C3)[N+](C1=O)(CC)C4=CC(=C(C=C4)F)Cl

Isomeric SMILES

CCN1C2=C(C(=C(C=C2)C)C3=CNN=C3)[N+](C1=O)(CC)C4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C21H21ClFN4O/c1-4-26-18-9-6-13(3)19(14-11-24-25-12-14)20(18)27(5-2,21(26)28)15-7-8-17(23)16(22)10-15/h6-12H,4-5H2,1-3H3,(H,24,25)/q+1