(4-methylpiperazin-4-ium-1-yl)-(2-methylsulfanylphenyl)methanone

Systemtic Name: (4-methylpiperazin-4-ium-1-yl)-(2-methylsulfanylphenyl)methanone Openeye Name: (4-methylpiperazin-4-ium-1-yl)-(2-methylsulfanylphenyl)methanone CAS Name: (4-methyl-1-piperazin-4-iumyl)-[2-(methylthio)phenyl]methanone IUPAC Name: (4-methylpiperazin-4-ium-1-yl)-(2-methylsulfanylphenyl)methanone Traditional Name: (4-methylpiperazin-4-ium-1-yl)-[2-(methylthio)phenyl]methanone Formula: C13H19N2OS+ MolecularWeight: 251.36776

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2=CC=CC=C2SC

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=CC=CC=C2SC

InChI

InChI=1S/C13H18N2OS/c1-14-7-9-15(10-8-14)13(16)11-5-3-4-6-12(11)17-2/h3-6H,7-10H2,1-2H3/p+1