2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-[(2S)-heptan-2-yl]ethanamide

Systemtic Name: 2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-[(2S)-heptan-2-yl]ethanamide Openeye Name: 2-(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-[(1S)-1-methylhexyl]acetamide CAS Name: 2-[(6-amino-3,5-dicyano-2-pyridin-1-iumyl)thio]-N-[(2S)-heptan-2-yl]acetamide IUPAC Name: 2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-[(2S)-heptan-2-yl]acetamide Traditional Name: 2-[(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)thio]-N-[(1S)-1-methylhexyl]acetamide Formula: C16H22N5OS+ MolecularWeight: 332.44378

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)CSC1=C(C=C(C(=[NH+]1)N)C#N)C#N

Isomeric SMILES

CCCCC[C@H](C)NC(=O)CSC1=C(C=C(C(=[NH+]1)N)C#N)C#N

InChI

InChI=1S/C16H21N5OS/c1-3-4-5-6-11(2)20-14(22)10-23-16-13(9-18)7-12(8-17)15(19)21-16/h7,11H,3-6,10H2,1-2H3,(H2,19,21)(H,20,22)/p+1/t11-/m0/s1