(2S)-2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-(2,4,6-trimethylphenyl)propanamide

Systemtic Name: (2S)-2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-(2,4,6-trimethylphenyl)propanamide Openeye Name: (2S)-2-(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-(2,4,6-trimethylphenyl)propanamide CAS Name: (2S)-2-[(6-amino-3,5-dicyano-2-pyridin-1-iumyl)thio]-N-(2,4,6-trimethylphenyl)propanamide IUPAC Name: (2S)-2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-(2,4,6-trimethylphenyl)propanamide Traditional Name: (2S)-2-[(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)thio]-N-mesityl-propionamide Formula: C19H20N5OS+ MolecularWeight: 366.46

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N5OS/c1-10-5-11(2)16(12(3)6-10)23-18(25)13(4)26-19-15(9-21)7-14(8-20)17(22)24-19/h5-7,13H,1-4H3,(H2,22,24)(H,23,25)/p+1/t13-/m0/s1