2-methyl-3-phenyl-6-piperidin-1-ium-1-yl-hex-4-yn-3-ol chloride

Systemtic Name: 2-methyl-3-phenyl-6-piperidin-1-ium-1-yl-hex-4-yn-3-ol chloride Openeye Name: 2-methyl-3-phenyl-6-piperidin-1-ium-1-yl-hex-4-yn-3-ol chloride CAS Name: 2-methyl-3-phenyl-6-(1-piperidin-1-iumyl)-4-hexyn-3-ol chloride IUPAC Name: 2-methyl-3-phenyl-6-piperidin-1-ium-1-ylhex-4-yn-3-ol chloride Traditional Name: 2-methyl-3-phenyl-6-piperidin-1-ium-1-yl-hex-4-yn-3-ol chloride Formula: C18H26ClNO MolecularWeight: 307.85814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C#CC[NH+]1CCCCC1)(C2=CC=CC=C2)O.[Cl-]

Isomeric SMILES

CC(C)C(C#CC[NH+]1CCCCC1)(C2=CC=CC=C2)O.[Cl-]

InChI

InChI=1S/C18H25NO.ClH/c1-16(2)18(20,17-10-5-3-6-11-17)12-9-15-19-13-7-4-8-14-19;/h3,5-6,10-11,16,20H,4,7-8,13-15H2,1-2H3;1H