4-(5-piperidin-1-ium-1-ylpentan-2-ylsulfanyl)phenol chloride

Systemtic Name: 4-(5-piperidin-1-ium-1-ylpentan-2-ylsulfanyl)phenol chloride Openeye Name: 4-(1-methyl-4-piperidin-1-ium-1-yl-butyl)sulfanylphenol chloride CAS Name: 4-[5-(1-piperidin-1-iumyl)pentan-2-ylthio]phenol chloride IUPAC Name: 4-(5-piperidin-1-ium-1-ylpentan-2-ylsulfanyl)phenol chloride Traditional Name: 4-[(1-methyl-4-piperidin-1-ium-1-yl-butyl)thio]phenol chloride Formula: C16H26ClNOS MolecularWeight: 315.90174

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC[NH+]1CCCCC1)SC2=CC=C(C=C2)O.[Cl-]

Isomeric SMILES

CC(CCC[NH+]1CCCCC1)SC2=CC=C(C=C2)O.[Cl-]

InChI

InChI=1S/C16H25NOS.ClH/c1-14(19-16-9-7-15(18)8-10-16)6-5-13-17-11-3-2-4-12-17;/h7-10,14,18H,2-6,11-13H2,1H3;1H