(2R)-2-piperazin-4-ium-1-yl-2-pyridin-3-yl-ethanethioamide

Systemtic Name: (2R)-2-piperazin-4-ium-1-yl-2-pyridin-3-yl-ethanethioamide Openeye Name: (2R)-2-piperazin-4-ium-1-yl-2-(3-pyridyl)thioacetamide CAS Name: (2R)-2-(1-piperazin-4-iumyl)-2-(3-pyridinyl)ethanethioamide IUPAC Name: (2R)-2-piperazin-4-ium-1-yl-2-pyridin-3-ylethanethioamide Traditional Name: (2R)-2-piperazin-4-ium-1-yl-2-(3-pyridyl)thioacetamide Formula: C11H17N4S+ MolecularWeight: 237.34448

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C(C2=CN=CC=C2)C(=S)N

Isomeric SMILES

C1CN(CC[NH2+]1)[C@H](C2=CN=CC=C2)C(=S)N

InChI

InChI=1S/C11H16N4S/c12-11(16)10(9-2-1-3-14-8-9)15-6-4-13-5-7-15/h1-3,8,10,13H,4-7H2,(H2,12,16)/p+1/t10-/m1/s1