2-[3-cyano-4-(dimethylamino)pyridin-1-ium-2-yl]sulfanyl-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[3-cyano-4-(dimethylamino)pyridin-1-ium-2-yl]sulfanyl-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[3-cyano-4-(dimethylamino)pyridin-1-ium-2-yl]sulfanyl-acetamide CAS Name: 2-[[3-cyano-4-(dimethylamino)-2-pyridin-1-iumyl]thio]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[3-cyano-4-(dimethylamino)pyridin-1-ium-2-yl]sulfanylacetamide Traditional Name: N-benzyl-2-[[3-cyano-4-(dimethylamino)pyridin-1-ium-2-yl]thio]acetamide Formula: C17H19N4OS+ MolecularWeight: 327.42396

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C(=[NH+]C=C1)SCC(=O)NCC2=CC=CC=C2)C#N

Isomeric SMILES

CN(C)C1=C(C(=[NH+]C=C1)SCC(=O)NCC2=CC=CC=C2)C#N

InChI

InChI=1S/C17H18N4OS/c1-21(2)15-8-9-19-17(14(15)10-18)23-12-16(22)20-11-13-6-4-3-5-7-13/h3-9H,11-12H2,1-2H3,(H,20,22)/p+1