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4-[4-(azepan-1-ium-1-yl)butylsulfanyl]phenol chloride

4-[4-(azepan-1-ium-1-yl)butylsulfanyl]phenol chloride

Systemtic Name:4-[4-(azepan-1-ium-1-yl)butylsulfanyl]phenol chloride
Openeye Name:4-[4-(azepan-1-ium-1-yl)butylsulfanyl]phenol chloride
CAS Name:4-[4-(1-azepan-1-iumyl)butylthio]phenol chloride
IUPAC Name:4-[4-(azepan-1-ium-1-yl)butylsulfanyl]phenol chloride
Traditional Name:4-[4-(azepan-1-ium-1-yl)butylthio]phenol chloride
Formula: C16H26ClNOS
MolecularWeight: 315.90174
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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CCCCSC2=CC=C(C=C2)O.[Cl-]


Isomeric SMILES

C1CCC[NH+](CC1)CCCCSC2=CC=C(C=C2)O.[Cl-]


InChI

InChI=1S/C16H25NOS.ClH/c18-15-7-9-16(10-8-15)19-14-6-5-13-17-11-3-1-2-4-12-17;/h7-10,18H,1-6,11-14H2;1H


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