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dibutyl-(5-oxidanyl-5,5-diphenyl-pent-2-ynyl)azanium chloride

dibutyl-(5-oxidanyl-5,5-diphenyl-pent-2-ynyl)azanium chloride

Systemtic Name:dibutyl-(5-oxidanyl-5,5-diphenyl-pent-2-ynyl)azanium chloride
Openeye Name:dibutyl-(5-hydroxy-5,5-diphenyl-pent-2-ynyl)ammonium chloride
CAS Name:dibutyl-(5-hydroxy-5,5-diphenylpent-2-ynyl)ammonium chloride
IUPAC Name:dibutyl-(5-hydroxy-5,5-diphenylpent-2-ynyl)azanium chloride
Traditional Name:dibutyl-(5-hydroxy-5,5-diphenyl-pent-2-ynyl)ammonium chloride
Formula: C25H34ClNO
MolecularWeight: 399.99656
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C25H33NO.ClH/c1-3-5-20-26(21-6-4-2)22-14-13-19-25(27,23-15-9-7-10-16-23)24-17-11-8-12-18-24;/h7-12,15-18,27H,3-6,19-22H2,1-2H3;1H


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