4-[4-(1-methylpiperidin-1-ium-1-yl)butylsulfanyl]phenol iodide

Systemtic Name: 4-[4-(1-methylpiperidin-1-ium-1-yl)butylsulfanyl]phenol iodide Openeye Name: 4-[4-(1-methylpiperidin-1-ium-1-yl)butylsulfanyl]phenol iodide CAS Name: 4-[4-(1-methyl-1-piperidin-1-iumyl)butylthio]phenol iodide IUPAC Name: 4-[4-(1-methylpiperidin-1-ium-1-yl)butylsulfanyl]phenol iodide Traditional Name: 4-[4-(1-methylpiperidin-1-ium-1-yl)butylthio]phenol iodide Formula: C16H26INOS MolecularWeight: 407.35321

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1)CCCCSC2=CC=C(C=C2)O.[I-]

Isomeric SMILES

C[N+]1(CCCCC1)CCCCSC2=CC=C(C=C2)O.[I-]

InChI

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