6-(azepan-1-ium-1-yl)-2-methyl-3-phenyl-hex-4-yn-3-ol chloride

Systemtic Name: 6-(azepan-1-ium-1-yl)-2-methyl-3-phenyl-hex-4-yn-3-ol chloride Openeye Name: 6-(azepan-1-ium-1-yl)-2-methyl-3-phenyl-hex-4-yn-3-ol chloride CAS Name: 6-(1-azepan-1-iumyl)-2-methyl-3-phenyl-4-hexyn-3-ol chloride IUPAC Name: 6-(azepan-1-ium-1-yl)-2-methyl-3-phenylhex-4-yn-3-ol chloride Traditional Name: 6-(azepan-1-ium-1-yl)-2-methyl-3-phenyl-hex-4-yn-3-ol chloride Formula: C19H28ClNO MolecularWeight: 321.88472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C#CC[NH+]1CCCCCC1)(C2=CC=CC=C2)O.[Cl-]

Isomeric SMILES

CC(C)C(C#CC[NH+]1CCCCCC1)(C2=CC=CC=C2)O.[Cl-]

InChI

InChI=1S/C19H27NO.ClH/c1-17(2)19(21,18-11-6-5-7-12-18)13-10-16-20-14-8-3-4-9-15-20;/h5-7,11-12,17,21H,3-4,8-9,14-16H2,1-2H3;1H