(5-bromanyl-2-methylsulfanyl-phenyl)-(4-methylpiperazin-1-yl)methanone hydrochloride

Systemtic Name: (5-bromanyl-2-methylsulfanyl-phenyl)-(4-methylpiperazin-1-yl)methanone hydrochloride Openeye Name: (5-bromo-2-methylsulfanyl-phenyl)-(4-methylpiperazin-1-yl)methanone hydrochloride CAS Name: [5-bromo-2-(methylthio)phenyl]-(4-methyl-1-piperazinyl)methanone hydrochloride IUPAC Name: (5-bromo-2-methylsulfanylphenyl)-(4-methylpiperazin-1-yl)methanone hydrochloride Traditional Name: [5-bromo-2-(methylthio)phenyl]-(4-methylpiperazino)methanone hydrochloride Formula: C13H18BrClN2OS MolecularWeight: 365.71682

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2=C(C=CC(=C2)Br)SC.Cl

Isomeric SMILES

CN1CCN(CC1)C(=O)C2=C(C=CC(=C2)Br)SC.Cl

InChI

InChI=1S/C13H17BrN2OS.ClH/c1-15-5-7-16(8-6-15)13(17)11-9-10(14)3-4-12(11)18-2;/h3-4,9H,5-8H2,1-2H3;1H