[3-azanyl-4-(4-fluorophenyl)-1H-pyrazol-2-ium-5-yl]methyl-dimethyl-azanium

Systemtic Name: [3-azanyl-4-(4-fluorophenyl)-1H-pyrazol-2-ium-5-yl]methyl-dimethyl-azanium Openeye Name: [3-amino-4-(4-fluorophenyl)-1H-pyrazol-2-ium-5-yl]methyl-dimethyl-ammonium CAS Name: [3-amino-4-(4-fluorophenyl)-1H-pyrazol-2-ium-5-yl]methyl-dimethylammonium IUPAC Name: [3-amino-4-(4-fluorophenyl)-1H-pyrazol-2-ium-5-yl]methyl-dimethylazanium Traditional Name: [3-amino-4-(4-fluorophenyl)-1H-pyrazol-2-ium-5-yl]methyl-dimethyl-ammonium Formula: C12H17FN4+2 MolecularWeight: 236.288583

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=C(C(=[NH+]N1)N)C2=CC=C(C=C2)F

Isomeric SMILES

C[NH+](C)CC1=C(C(=[NH+]N1)N)C2=CC=C(C=C2)F

InChI

InChI=1S/C12H15FN4/c1-17(2)7-10-11(12(14)16-15-10)8-3-5-9(13)6-4-8/h3-6H,7H2,1-2H3,(H3,14,15,16)/p+2