4-[1-(4-methylphenyl)hex-5-en-1-yn-3-yl]morpholin-4-ium chloride

Systemtic Name: 4-[1-(4-methylphenyl)hex-5-en-1-yn-3-yl]morpholin-4-ium chloride Openeye Name: 4-[1-[2-(p-tolyl)ethynyl]but-3-enyl]morpholin-4-ium chloride CAS Name: 4-[1-(4-methylphenyl)hex-5-en-1-yn-3-yl]morpholin-4-ium chloride IUPAC Name: 4-[1-(4-methylphenyl)hex-5-en-1-yn-3-yl]morpholin-4-ium chloride Traditional Name: 4-[1-[2-(p-tolyl)ethynyl]but-3-enyl]morpholin-4-ium chloride Formula: C17H22ClNO MolecularWeight: 291.81568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C#CC(CC=C)[NH+]2CCOCC2.[Cl-]

Isomeric SMILES

CC1=CC=C(C=C1)C#CC(CC=C)[NH+]2CCOCC2.[Cl-]

InChI

InChI=1S/C17H21NO.ClH/c1-3-4-17(18-11-13-19-14-12-18)10-9-16-7-5-15(2)6-8-16;/h3,5-8,17H,1,4,11-14H2,2H3;1H