(5-cyclohexyl-5-oxidanyl-5-phenyl-pent-3-ynyl)-diethyl-methyl-azanium iodide

Systemtic Name: (5-cyclohexyl-5-oxidanyl-5-phenyl-pent-3-ynyl)-diethyl-methyl-azanium iodide Openeye Name: (5-cyclohexyl-5-hydroxy-5-phenyl-pent-3-ynyl)-diethyl-methyl-ammonium iodide CAS Name: (5-cyclohexyl-5-hydroxy-5-phenylpent-3-ynyl)-diethyl-methylammonium iodide IUPAC Name: (5-cyclohexyl-5-hydroxy-5-phenylpent-3-ynyl)-diethyl-methylazanium iodide Traditional Name: (5-cyclohexyl-5-hydroxy-5-phenyl-pent-3-ynyl)-diethyl-methyl-ammonium iodide Formula: C22H34INO MolecularWeight: 455.41593

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(CC)CCC#CC(C1CCCCC1)(C2=CC=CC=C2)O.[I-]

Isomeric SMILES

CC[N+](C)(CC)CCC#CC(C1CCCCC1)(C2=CC=CC=C2)O.[I-]

InChI

InChI=1S/C22H34NO.HI/c1-4-23(3,5-2)19-13-12-18-22(24,20-14-8-6-9-15-20)21-16-10-7-11-17-21;/h6,8-9,14-15,21,24H,4-5,7,10-11,13,16-17,19H2,1-3H3;1H/q+1;/p-1