bis(2-hydroxyethyl)-(5-methyl-4-oxidanyl-4-phenyl-hex-2-ynyl)azanium chloride

Systemtic Name: bis(2-hydroxyethyl)-(5-methyl-4-oxidanyl-4-phenyl-hex-2-ynyl)azanium chloride Openeye Name: bis(2-hydroxyethyl)-(4-hydroxy-5-methyl-4-phenyl-hex-2-ynyl)ammonium chloride CAS Name: bis(2-hydroxyethyl)-(4-hydroxy-5-methyl-4-phenylhex-2-ynyl)ammonium chloride IUPAC Name: bis(2-hydroxyethyl)-(4-hydroxy-5-methyl-4-phenylhex-2-ynyl)azanium chloride Traditional Name: bis(2-hydroxyethyl)-(4-hydroxy-5-methyl-4-phenyl-hex-2-ynyl)ammonium chloride Formula: C17H26ClNO3 MolecularWeight: 327.84624

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C#CC[NH+](CCO)CCO)(C1=CC=CC=C1)O.[Cl-]

Isomeric SMILES

CC(C)C(C#CC[NH+](CCO)CCO)(C1=CC=CC=C1)O.[Cl-]

InChI

InChI=1S/C17H25NO3.ClH/c1-15(2)17(21,16-7-4-3-5-8-16)9-6-10-18(11-13-19)12-14-20;/h3-5,7-8,15,19-21H,10-14H2,1-2H3;1H