(5-chloranyl-2-prop-2-enylsulfanyl-phenyl)-(4-methylpiperazin-1-yl)methanone hydrochloride

Systemtic Name: (5-chloranyl-2-prop-2-enylsulfanyl-phenyl)-(4-methylpiperazin-1-yl)methanone hydrochloride Openeye Name: (2-allylsulfanyl-5-chloro-phenyl)-(4-methylpiperazin-1-yl)methanone hydrochloride CAS Name: [5-chloro-2-(prop-2-enylthio)phenyl]-(4-methyl-1-piperazinyl)methanone hydrochloride IUPAC Name: (5-chloro-2-prop-2-enylsulfanylphenyl)-(4-methylpiperazin-1-yl)methanone hydrochloride Traditional Name: [2-(allylthio)-5-chloro-phenyl]-(4-methylpiperazino)methanone hydrochloride Formula: C15H20Cl2N2OS MolecularWeight: 347.3031

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2=C(C=CC(=C2)Cl)SCC=C.Cl

Isomeric SMILES

CN1CCN(CC1)C(=O)C2=C(C=CC(=C2)Cl)SCC=C.Cl

InChI

InChI=1S/C15H19ClN2OS.ClH/c1-3-10-20-14-5-4-12(16)11-13(14)15(19)18-8-6-17(2)7-9-18;/h3-5,11H,1,6-10H2,2H3;1H