(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethanethioamide

Systemtic Name: (2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethanethioamide Openeye Name: (2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-4-ium-1-yl)thioacetamide CAS Name: (2S)-2-(4-dimethylaminophenyl)-2-(4-methyl-1-piperazin-4-iumyl)ethanethioamide IUPAC Name: (2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethanethioamide Traditional Name: (2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-4-ium-1-yl)thioacetamide Formula: C15H25N4S+ MolecularWeight: 293.4508

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(C2=CC=C(C=C2)N(C)C)C(=S)N

Isomeric SMILES

C[NH+]1CCN(CC1)[C@@H](C2=CC=C(C=C2)N(C)C)C(=S)N

InChI

InChI=1S/C15H24N4S/c1-17(2)13-6-4-12(5-7-13)14(15(16)20)19-10-8-18(3)9-11-19/h4-7,14H,8-11H2,1-3H3,(H2,16,20)/p+1/t14-/m0/s1