(2-chlorophenyl)methyl-(5-cyclohexyl-5-oxidanyl-5-phenyl-pent-3-ynyl)-diethyl-azanium chloride

Systemtic Name: (2-chlorophenyl)methyl-(5-cyclohexyl-5-oxidanyl-5-phenyl-pent-3-ynyl)-diethyl-azanium chloride Openeye Name: (2-chlorophenyl)methyl-(5-cyclohexyl-5-hydroxy-5-phenyl-pent-3-ynyl)-diethyl-ammonium chloride CAS Name: (2-chlorophenyl)methyl-(5-cyclohexyl-5-hydroxy-5-phenylpent-3-ynyl)-diethylammonium chloride IUPAC Name: (2-chlorophenyl)methyl-(5-cyclohexyl-5-hydroxy-5-phenylpent-3-ynyl)-diethylazanium chloride Traditional Name: (2-chlorobenzyl)-(5-cyclohexyl-5-hydroxy-5-phenyl-pent-3-ynyl)-diethyl-ammonium chloride Formula: C28H37Cl2NO MolecularWeight: 474.50548

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC)(CCC#CC(C1CCCCC1)(C2=CC=CC=C2)O)CC3=CC=CC=C3Cl.[Cl-]

Isomeric SMILES

CC[N+](CC)(CCC#CC(C1CCCCC1)(C2=CC=CC=C2)O)CC3=CC=CC=C3Cl.[Cl-]

InChI

InChI=1S/C28H37ClNO.ClH/c1-3-30(4-2,23-24-15-11-12-20-27(24)29)22-14-13-21-28(31,25-16-7-5-8-17-25)26-18-9-6-10-19-26;/h5,7-8,11-12,15-17,20,26,31H,3-4,6,9-10,14,18-19,22-23H2,1-2H3;1H/q+1;/p-1