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

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2=C(C=CC(=C2)Br)SC.[Cl-]

Isomeric SMILES

C[NH+]1CCN(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