4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-2-methyl-1H-pyrazol-2-ium-3-amine

Systemtic Name: 4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-2-methyl-1H-pyrazol-2-ium-3-amine Openeye Name: 4-[(2-chloro-6-fluoro-phenyl)methyl]-2-methyl-1H-pyrazol-2-ium-3-amine CAS Name: 4-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-1H-pyrazol-2-ium-3-amine IUPAC Name: 4-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-1H-pyrazol-2-ium-3-amine Traditional Name: [4-(2-chloro-6-fluoro-benzyl)-2-methyl-1H-pyrazol-2-ium-3-yl]amine Formula: C11H12ClFN3+ MolecularWeight: 240.684483

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C(=CN1)CC2=C(C=CC=C2Cl)F)N

Isomeric SMILES

C[N+]1=C(C(=CN1)CC2=C(C=CC=C2Cl)F)N

InChI

InChI=1S/C11H11ClFN3/c1-16-11(14)7(6-15-16)5-8-9(12)3-2-4-10(8)13/h2-4,6H,5H2,1H3,(H2,14,15)/p+1