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diethyl-[2-[(5-octyl-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethyl]azanium chloride

diethyl-[2-[(5-octyl-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethyl]azanium chloride

Systemtic Name:diethyl-[2-[(5-octyl-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethyl]azanium chloride
Openeye Name:diethyl-[2-[(4-hydroxy-5-octyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]ethyl]ammonium chloride
CAS Name:diethyl-[2-[(4-hydroxy-5-octyl-6-oxo-1H-pyrimidin-2-yl)thio]ethyl]ammonium chloride
IUPAC Name:diethyl-[2-[(4-hydroxy-5-octyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]ethyl]azanium chloride
Traditional Name:diethyl-[2-[(4-hydroxy-6-keto-5-octyl-1H-pyrimidin-2-yl)thio]ethyl]ammonium chloride
Formula: C18H34ClN3O2S
MolecularWeight: 391.99946
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(N=C(NC1=O)SCC[NH+](CC)CC)O.[Cl-]


Isomeric SMILES

CCCCCCCCC1=C(N=C(NC1=O)SCC[NH+](CC)CC)O.[Cl-]


InChI

InChI=1S/C18H33N3O2S.ClH/c1-4-7-8-9-10-11-12-15-16(22)19-18(20-17(15)23)24-14-13-21(5-2)6-3;/h4-14H2,1-3H3,(H2,19,20,22,23);1H


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