N-[3-cyano-4-(2,2-dimethylpropoxy)phenyl]-1-(4-fluorophenyl)-1,3-dimethyl-pyrazol-1-ium-4-carboxamide

Systemtic Name: N-[3-cyano-4-(2,2-dimethylpropoxy)phenyl]-1-(4-fluorophenyl)-1,3-dimethyl-pyrazol-1-ium-4-carboxamide Openeye Name: N-[3-cyano-4-(2,2-dimethylpropoxy)phenyl]-1-(4-fluorophenyl)-1,3-dimethyl-pyrazol-1-ium-4-carboxamide CAS Name: N-[3-cyano-4-(2,2-dimethylpropoxy)phenyl]-1-(4-fluorophenyl)-1,3-dimethyl-4-pyrazol-1-iumcarboxamide IUPAC Name: N-[3-cyano-4-(2,2-dimethylpropoxy)phenyl]-1-(4-fluorophenyl)-1,3-dimethylpyrazol-1-ium-4-carboxamide Traditional Name: N-(3-cyano-4-neopentyloxy-phenyl)-1-(4-fluorophenyl)-1,3-dimethyl-pyrazol-1-ium-4-carboxamide Formula: C24H26FN4O2+ MolecularWeight: 421.487243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=N[N+](C=C1C(=O)NC2=CC(=C(C=C2)OCC(C)(C)C)C#N)(C)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=N[N+](C=C1C(=O)NC2=CC(=C(C=C2)OCC(C)(C)C)C#N)(C)C3=CC=C(C=C3)F

InChI

InChI=1S/C24H25FN4O2/c1-16-21(14-29(5,28-16)20-9-6-18(25)7-10-20)23(30)27-19-8-11-22(17(12-19)13-26)31-15-24(2,3)4/h6-12,14H,15H2,1-5H3/p+1