[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-[(6-fluoranyl-1H-benzimidazol-2-yl)methyl]-methyl-azanium

Systemtic Name: [5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-[(6-fluoranyl-1H-benzimidazol-2-yl)methyl]-methyl-azanium Openeye Name: [5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-methyl-ammonium CAS Name: [5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-methylammonium IUPAC Name: [5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-methylazanium Traditional Name: [5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-methyl-ammonium Formula: C21H23FN5+ MolecularWeight: 364.439223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=C(C=NN2)C[NH+](C)CC3=NC4=C(N3)C=C(C=C4)F)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=C(C=NN2)C[NH+](C)CC3=NC4=C(N3)C=C(C=C4)F)C

InChI

InChI=1S/C21H22FN5/c1-13-4-5-15(8-14(13)2)21-16(10-23-26-21)11-27(3)12-20-24-18-7-6-17(22)9-19(18)25-20/h4-10H,11-12H2,1-3H3,(H,23,26)(H,24,25)/p+1