3-[(3-azanylfuran-2-yl)methylsulfanyl]heptan-2-one hydrochloride

Systemtic Name: 3-[(3-azanylfuran-2-yl)methylsulfanyl]heptan-2-one hydrochloride Openeye Name: 3-[(3-amino-2-furyl)methylsulfanyl]heptan-2-one hydrochloride CAS Name: 3-[(3-amino-2-furanyl)methylthio]-2-heptanone hydrochloride IUPAC Name: 3-[(3-aminofuran-2-yl)methylsulfanyl]heptan-2-one hydrochloride Traditional Name: 3-[(3-amino-2-furyl)methylthio]heptan-2-one hydrochloride Formula: C12H20ClNO2S MolecularWeight: 277.8107

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)C)SCC1=C(C=CO1)N.Cl

Isomeric SMILES

CCCCC(C(=O)C)SCC1=C(C=CO1)N.Cl

InChI

InChI=1S/C12H19NO2S.ClH/c1-3-4-5-12(9(2)14)16-8-11-10(13)6-7-15-11;/h6-7,12H,3-5,8,13H2,1-2H3;1H