5-(dimethylaminomethyl)-4-(4-fluorophenyl)-2-methyl-1H-pyrazol-2-ium-3-amine

Systemtic Name: 5-(dimethylaminomethyl)-4-(4-fluorophenyl)-2-methyl-1H-pyrazol-2-ium-3-amine Openeye Name: 5-(dimethylaminomethyl)-4-(4-fluorophenyl)-2-methyl-1H-pyrazol-2-ium-3-amine CAS Name: 5-(dimethylaminomethyl)-4-(4-fluorophenyl)-2-methyl-1H-pyrazol-2-ium-3-amine IUPAC Name: 5-(dimethylaminomethyl)-4-(4-fluorophenyl)-2-methyl-1H-pyrazol-2-ium-3-amine Traditional Name: [3-amino-4-(4-fluorophenyl)-2-methyl-1H-pyrazol-2-ium-5-yl]methyl-dimethyl-amine Formula: C13H18FN4+ MolecularWeight: 249.307223

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C(=C(N1)CN(C)C)C2=CC=C(C=C2)F)N

Isomeric SMILES

C[N+]1=C(C(=C(N1)CN(C)C)C2=CC=C(C=C2)F)N

InChI

InChI=1S/C13H17FN4/c1-17(2)8-11-12(13(15)18(3)16-11)9-4-6-10(14)7-5-9/h4-7H,8H2,1-3H3,(H2,15,16)/p+1