2-[diethylamino(ethylsulfanyl)methyl]-5-oxidanyl-pyran-4-one hydrochloride

Systemtic Name: 2-[diethylamino(ethylsulfanyl)methyl]-5-oxidanyl-pyran-4-one hydrochloride Openeye Name: 2-[diethylamino(ethylsulfanyl)methyl]-5-hydroxy-pyran-4-one hydrochloride CAS Name: 2-[diethylamino-(ethylthio)methyl]-5-hydroxy-4-pyranone hydrochloride IUPAC Name: 2-[diethylamino(ethylsulfanyl)methyl]-5-hydroxypyran-4-one hydrochloride Traditional Name: 2-[diethylamino-(ethylthio)methyl]-5-hydroxy-pyran-4-one hydrochloride Formula: C12H20ClNO3S MolecularWeight: 293.8101

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(C1=CC(=O)C(=CO1)O)SCC.Cl

Isomeric SMILES

CCN(CC)C(C1=CC(=O)C(=CO1)O)SCC.Cl

InChI

InChI=1S/C12H19NO3S.ClH/c1-4-13(5-2)12(17-6-3)11-7-9(14)10(15)8-16-11;/h7-8,12,15H,4-6H2,1-3H3;1H