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

Systemtic Name: (2S)-2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-(2-methylpropyl)propanamide Openeye Name: (2S)-2-(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-isobutyl-propanamide CAS Name: (2S)-2-[(6-amino-3,5-dicyano-2-pyridin-1-iumyl)thio]-N-(2-methylpropyl)propanamide IUPAC Name: (2S)-2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-(2-methylpropyl)propanamide Traditional Name: (2S)-2-[(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)thio]-N-isobutyl-propionamide Formula: C14H18N5OS+ MolecularWeight: 304.39062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N5OS/c1-8(2)7-18-13(20)9(3)21-14-11(6-16)4-10(5-15)12(17)19-14/h4,8-9H,7H2,1-3H3,(H2,17,19)(H,18,20)/p+1/t9-/m0/s1