(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-[2-(4-fluoroanilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: (3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl-[2-(4-fluoroanilino)-2-oxoethyl]-methylammonium IUPAC Name: (3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-[2-(4-fluoroanilino)-2-oxoethyl]-methylazanium Traditional Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-[2-(4-fluoroanilino)-2-keto-ethyl]-methyl-ammonium Formula: C21H24FN4O+ MolecularWeight: 367.439863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C[NH+](C)CC(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C[NH+](C)CC(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C21H23FN4O/c1-15-20(16(2)26(24-15)19-7-5-4-6-8-19)13-25(3)14-21(27)23-18-11-9-17(22)10-12-18/h4-12H,13-14H2,1-3H3,(H,23,27)/p+1