(2R)-2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N,N-dimethyl-propanamide

Systemtic Name: (2R)-2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N,N-dimethyl-propanamide Openeye Name: (2R)-2-(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N,N-dimethyl-propanamide CAS Name: (2R)-2-[(6-amino-3,5-dicyano-2-pyridin-1-iumyl)thio]-N,N-dimethylpropanamide IUPAC Name: (2R)-2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N,N-dimethylpropanamide Traditional Name: (2R)-2-[(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)thio]-N,N-dimethyl-propionamide Formula: C12H14N5OS+ MolecularWeight: 276.33746

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C)SC1=C(C=C(C(=[NH+]1)N)C#N)C#N

Isomeric SMILES

C[C@H](C(=O)N(C)C)SC1=C(C=C(C(=[NH+]1)N)C#N)C#N

InChI

InChI=1S/C12H13N5OS/c1-7(12(18)17(2)3)19-11-9(6-14)4-8(5-13)10(15)16-11/h4,7H,1-3H3,(H2,15,16)/p+1/t7-/m1/s1