(2R)-2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-[2-(4-methoxyphenyl)ethyl]propanamide

Systemtic Name: (2R)-2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-[2-(4-methoxyphenyl)ethyl]propanamide Openeye Name: (2R)-2-(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-[2-(4-methoxyphenyl)ethyl]propanamide CAS Name: (2R)-2-[(6-amino-3,5-dicyano-2-pyridin-1-iumyl)thio]-N-[2-(4-methoxyphenyl)ethyl]propanamide IUPAC Name: (2R)-2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-[2-(4-methoxyphenyl)ethyl]propanamide Traditional Name: (2R)-2-[(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)thio]-N-[2-(4-methoxyphenyl)ethyl]propionamide Formula: C19H20N5O2S+ MolecularWeight: 382.4594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=C(C=C1)OC)SC2=C(C=C(C(=[NH+]2)N)C#N)C#N

Isomeric SMILES

C[C@H](C(=O)NCCC1=CC=C(C=C1)OC)SC2=C(C=C(C(=[NH+]2)N)C#N)C#N

InChI

InChI=1S/C19H19N5O2S/c1-12(27-19-15(11-21)9-14(10-20)17(22)24-19)18(25)23-8-7-13-3-5-16(26-2)6-4-13/h3-6,9,12H,7-8H2,1-2H3,(H2,22,24)(H,23,25)/p+1/t12-/m1/s1