butyl-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-dimethyl-azanium iodide

Systemtic Name: butyl-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-dimethyl-azanium iodide Openeye Name: butyl-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-dimethyl-ammonium iodide CAS Name: butyl-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-dimethylammonium iodide IUPAC Name: butyl-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-dimethylazanium iodide Traditional Name: butyl-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-dimethyl-ammonium iodide Formula: C17H26IN3O MolecularWeight: 415.31231

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](C)(C)C1=C(N(N(C1=O)C2=CC=CC=C2)C)C.[I-]

Isomeric SMILES

CCCC[N+](C)(C)C1=C(N(N(C1=O)C2=CC=CC=C2)C)C.[I-]

InChI

InChI=1S/C17H26N3O.HI/c1-6-7-13-20(4,5)16-14(2)18(3)19(17(16)21)15-11-9-8-10-12-15;/h8-12H,6-7,13H2,1-5H3;1H/q+1;/p-1