(3,5-dimethyl-4-oxycyano-phenyl)-trimethyl-azanium iodide

Systemtic Name: (3,5-dimethyl-4-oxycyano-phenyl)-trimethyl-azanium iodide Openeye Name: (3,5-dimethyl-4-oxycyano-phenyl)-trimethyl-ammonium iodide CAS Name: (3,5-dimethyl-4-oxidocyanophenyl)-trimethylammonium iodide IUPAC Name: (3,5-dimethyl-4-oxycyanophenyl)-trimethylazanium iodide Traditional Name: (3,5-dimethyl-4-oxycyano-phenyl)-trimethyl-ammonium iodide Formula: C12H17IN2O MolecularWeight: 332.18065

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C#[N+][O-])C)[N+](C)(C)C.[I-]

Isomeric SMILES

CC1=CC(=CC(=C1C#[N+][O-])C)[N+](C)(C)C.[I-]

InChI

InChI=1S/C12H17N2O.HI/c1-9-6-11(14(3,4)5)7-10(2)12(9)8-13-15;/h6-7H,1-5H3;1H/q+1;/p-1