(5-cyclohexyl-5-oxidanyl-5-phenyl-pent-3-ynyl)-diethyl-(phenylmethyl)azanium chloride

Systemtic Name: (5-cyclohexyl-5-oxidanyl-5-phenyl-pent-3-ynyl)-diethyl-(phenylmethyl)azanium chloride Openeye Name: benzyl-(5-cyclohexyl-5-hydroxy-5-phenyl-pent-3-ynyl)-diethyl-ammonium chloride CAS Name: (5-cyclohexyl-5-hydroxy-5-phenylpent-3-ynyl)-diethyl-(phenylmethyl)ammonium chloride IUPAC Name: benzyl-(5-cyclohexyl-5-hydroxy-5-phenylpent-3-ynyl)-diethylazanium chloride Traditional Name: benzyl-(5-cyclohexyl-5-hydroxy-5-phenyl-pent-3-ynyl)-diethyl-ammonium chloride Formula: C28H38ClNO MolecularWeight: 440.06042

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC)(CCC#CC(C1CCCCC1)(C2=CC=CC=C2)O)CC3=CC=CC=C3.[Cl-]

Isomeric SMILES

CC[N+](CC)(CCC#CC(C1CCCCC1)(C2=CC=CC=C2)O)CC3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C28H38NO.ClH/c1-3-29(4-2,24-25-16-8-5-9-17-25)23-15-14-22-28(30,26-18-10-6-11-19-26)27-20-12-7-13-21-27;/h5-6,8-11,16-19,27,30H,3-4,7,12-13,15,20-21,23-24H2,1-2H3;1H/q+1;/p-1