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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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