[5-(4-bromophenyl)-5-oxidanyl-5-phenyl-pent-2-ynyl]-diethyl-azanium chloride

Systemtic Name: [5-(4-bromophenyl)-5-oxidanyl-5-phenyl-pent-2-ynyl]-diethyl-azanium chloride Openeye Name: [5-(4-bromophenyl)-5-hydroxy-5-phenyl-pent-2-ynyl]-diethyl-ammonium chloride CAS Name: [5-(4-bromophenyl)-5-hydroxy-5-phenylpent-2-ynyl]-diethylammonium chloride IUPAC Name: [5-(4-bromophenyl)-5-hydroxy-5-phenylpent-2-ynyl]-diethylazanium chloride Traditional Name: [5-(4-bromophenyl)-5-hydroxy-5-phenyl-pent-2-ynyl]-diethyl-ammonium chloride Formula: C21H25BrClNO MolecularWeight: 422.7863

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC#CCC(C1=CC=CC=C1)(C2=CC=C(C=C2)Br)O.[Cl-]

Isomeric SMILES

CC[NH+](CC)CC#CCC(C1=CC=CC=C1)(C2=CC=C(C=C2)Br)O.[Cl-]

InChI

InChI=1S/C21H24BrNO.ClH/c1-3-23(4-2)17-9-8-16-21(24,18-10-6-5-7-11-18)19-12-14-20(22)15-13-19;/h5-7,10-15,24H,3-4,16-17H2,1-2H3;1H