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

Systemtic Name: (2R)-2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-methyl-N-phenyl-propanamide Openeye Name: (2R)-2-(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-methyl-N-phenyl-propanamide CAS Name: (2R)-2-[(6-amino-3,5-dicyano-2-pyridin-1-iumyl)thio]-N-methyl-N-phenylpropanamide IUPAC Name: (2R)-2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-methyl-N-phenylpropanamide Traditional Name: (2R)-2-[(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)thio]-N-methyl-N-phenyl-propionamide Formula: C17H16N5OS+ MolecularWeight: 338.40684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C1=CC=CC=C1)SC2=C(C=C(C(=[NH+]2)N)C#N)C#N

Isomeric SMILES

C[C@H](C(=O)N(C)C1=CC=CC=C1)SC2=C(C=C(C(=[NH+]2)N)C#N)C#N

InChI

InChI=1S/C17H15N5OS/c1-11(17(23)22(2)14-6-4-3-5-7-14)24-16-13(10-19)8-12(9-18)15(20)21-16/h3-8,11H,1-2H3,(H2,20,21)/p+1/t11-/m1/s1