(2S)-2-(4-methylpiperazin-4-ium-1-yl)-2-pyridin-3-yl-ethanethioamide

Systemtic Name: (2S)-2-(4-methylpiperazin-4-ium-1-yl)-2-pyridin-3-yl-ethanethioamide Openeye Name: (2S)-2-(4-methylpiperazin-4-ium-1-yl)-2-(3-pyridyl)thioacetamide CAS Name: (2S)-2-(4-methyl-1-piperazin-4-iumyl)-2-(3-pyridinyl)ethanethioamide IUPAC Name: (2S)-2-(4-methylpiperazin-4-ium-1-yl)-2-pyridin-3-ylethanethioamide Traditional Name: (2S)-2-(4-methylpiperazin-4-ium-1-yl)-2-(3-pyridyl)thioacetamide Formula: C12H19N4S+ MolecularWeight: 251.37106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N4S/c1-15-5-7-16(8-6-15)11(12(13)17)10-3-2-4-14-9-10/h2-4,9,11H,5-8H2,1H3,(H2,13,17)/p+1/t11-/m0/s1