(2R)-2-[6-azanyl-3,5-dicyano-4-(2-methylpropyl)pyridin-1-ium-2-yl]sulfanyl-2-phenyl-ethanamide

Systemtic Name: (2R)-2-[6-azanyl-3,5-dicyano-4-(2-methylpropyl)pyridin-1-ium-2-yl]sulfanyl-2-phenyl-ethanamide Openeye Name: (2R)-2-(6-amino-3,5-dicyano-4-isobutyl-pyridin-1-ium-2-yl)sulfanyl-2-phenyl-acetamide CAS Name: (2R)-2-[[6-amino-3,5-dicyano-4-(2-methylpropyl)-2-pyridin-1-iumyl]thio]-2-phenylacetamide IUPAC Name: (2R)-2-[6-amino-3,5-dicyano-4-(2-methylpropyl)pyridin-1-ium-2-yl]sulfanyl-2-phenylacetamide Traditional Name: (2R)-2-[(6-amino-3,5-dicyano-4-isobutyl-pyridin-1-ium-2-yl)thio]-2-phenyl-acetamide Formula: C19H20N5OS+ MolecularWeight: 366.46

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(C(=[NH+]C(=C1C#N)SC(C2=CC=CC=C2)C(=O)N)N)C#N

Isomeric SMILES

CC(C)CC1=C(C(=[NH+]C(=C1C#N)S[C@H](C2=CC=CC=C2)C(=O)N)N)C#N

InChI

InChI=1S/C19H19N5OS/c1-11(2)8-13-14(9-20)17(22)24-19(15(13)10-21)26-16(18(23)25)12-6-4-3-5-7-12/h3-7,11,16H,8H2,1-2H3,(H2,22,24)(H2,23,25)/p+1/t16-/m1/s1