(2R)-2-piperidin-1-ium-1-yl-2-pyridin-4-yl-ethanethioamide

Systemtic Name: (2R)-2-piperidin-1-ium-1-yl-2-pyridin-4-yl-ethanethioamide Openeye Name: (2R)-2-piperidin-1-ium-1-yl-2-(4-pyridyl)thioacetamide CAS Name: (2R)-2-(1-piperidin-1-iumyl)-2-pyridin-4-ylethanethioamide IUPAC Name: (2R)-2-piperidin-1-ium-1-yl-2-pyridin-4-ylethanethioamide Traditional Name: (2R)-2-piperidin-1-ium-1-yl-2-(4-pyridyl)thioacetamide Formula: C12H18N3S+ MolecularWeight: 236.35642

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(C2=CC=NC=C2)C(=S)N

Isomeric SMILES

C1CC[NH+](CC1)[C@H](C2=CC=NC=C2)C(=S)N

InChI

InChI=1S/C12H17N3S/c13-12(16)11(10-4-6-14-7-5-10)15-8-2-1-3-9-15/h4-7,11H,1-3,8-9H2,(H2,13,16)/p+1/t11-/m1/s1