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

Systemtic Name: (2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-pyridin-3-yl-ethanethioamide Openeye Name: (2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-(3-pyridyl)thioacetamide CAS Name: (2S)-2-(4-ethyl-1-piperazin-4-iumyl)-2-(3-pyridinyl)ethanethioamide IUPAC Name: (2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-pyridin-3-ylethanethioamide Traditional Name: (2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-(3-pyridyl)thioacetamide Formula: C13H21N4S+ MolecularWeight: 265.39764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N4S/c1-2-16-6-8-17(9-7-16)12(13(14)18)11-4-3-5-15-10-11/h3-5,10,12H,2,6-9H2,1H3,(H2,14,18)/p+1/t12-/m0/s1