(5-methoxy-2-methyl-5,5-diphenyl-pent-3-yn-2-yl)-trimethyl-azanium iodide

Systemtic Name: (5-methoxy-2-methyl-5,5-diphenyl-pent-3-yn-2-yl)-trimethyl-azanium iodide Openeye Name: (4-methoxy-1,1-dimethyl-4,4-diphenyl-but-2-ynyl)-trimethyl-ammonium iodide CAS Name: (5-methoxy-2-methyl-5,5-diphenylpent-3-yn-2-yl)-trimethylammonium iodide IUPAC Name: (5-methoxy-2-methyl-5,5-diphenylpent-3-yn-2-yl)-trimethylazanium iodide Traditional Name: (4-methoxy-1,1-dimethyl-4,4-diphenyl-but-2-ynyl)-trimethyl-ammonium iodide Formula: C22H28INO MolecularWeight: 449.36829

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC(C1=CC=CC=C1)(C2=CC=CC=C2)OC)[N+](C)(C)C.[I-]

Isomeric SMILES

CC(C)(C#CC(C1=CC=CC=C1)(C2=CC=CC=C2)OC)[N+](C)(C)C.[I-]

InChI

InChI=1S/C22H28NO.HI/c1-21(2,23(3,4)5)17-18-22(24-6,19-13-9-7-10-14-19)20-15-11-8-12-16-20;/h7-16H,1-6H3;1H/q+1;/p-1