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

Systemtic Name: (2R)-2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-tert-butyl-N-(phenylmethyl)propanamide Openeye Name: (2R)-2-(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-benzyl-N-tert-butyl-propanamide CAS Name: (2R)-2-[(6-amino-3,5-dicyano-2-pyridin-1-iumyl)thio]-N-tert-butyl-N-(phenylmethyl)propanamide IUPAC Name: (2R)-2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-benzyl-N-tert-butylpropanamide Traditional Name: (2R)-2-[(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)thio]-N-benzyl-N-tert-butyl-propionamide Formula: C21H24N5OS+ MolecularWeight: 394.51316

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(CC1=CC=CC=C1)C(C)(C)C)SC2=C(C=C(C(=[NH+]2)N)C#N)C#N

Isomeric SMILES

C[C@H](C(=O)N(CC1=CC=CC=C1)C(C)(C)C)SC2=C(C=C(C(=[NH+]2)N)C#N)C#N

InChI

InChI=1S/C21H23N5OS/c1-14(28-19-17(12-23)10-16(11-22)18(24)25-19)20(27)26(21(2,3)4)13-15-8-6-5-7-9-15/h5-10,14H,13H2,1-4H3,(H2,24,25)/p+1/t14-/m1/s1