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

Systemtic Name: (2R)-2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-cyclohexyl-propanamide Openeye Name: (2R)-2-(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-cyclohexyl-propanamide CAS Name: (2R)-2-[(6-amino-3,5-dicyano-2-pyridin-1-iumyl)thio]-N-cyclohexylpropanamide IUPAC Name: (2R)-2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-cyclohexylpropanamide Traditional Name: (2R)-2-[(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)thio]-N-cyclohexyl-propionamide Formula: C16H20N5OS+ MolecularWeight: 330.4279

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCC1)SC2=C(C=C(C(=[NH+]2)N)C#N)C#N

Isomeric SMILES

C[C@H](C(=O)NC1CCCCC1)SC2=C(C=C(C(=[NH+]2)N)C#N)C#N

InChI

InChI=1S/C16H19N5OS/c1-10(15(22)20-13-5-3-2-4-6-13)23-16-12(9-18)7-11(8-17)14(19)21-16/h7,10,13H,2-6H2,1H3,(H2,19,21)(H,20,22)/p+1/t10-/m1/s1