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

Systemtic Name: (2R)-2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-(2-methoxyphenyl)propanamide Openeye Name: (2R)-2-(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-(2-methoxyphenyl)propanamide CAS Name: (2R)-2-[(6-amino-3,5-dicyano-2-pyridin-1-iumyl)thio]-N-(2-methoxyphenyl)propanamide IUPAC Name: (2R)-2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-(2-methoxyphenyl)propanamide Traditional Name: (2R)-2-[(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)thio]-N-(2-methoxyphenyl)propionamide Formula: C17H16N5O2S+ MolecularWeight: 354.40624

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1OC)SC2=C(C=C(C(=[NH+]2)N)C#N)C#N

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1OC)SC2=C(C=C(C(=[NH+]2)N)C#N)C#N

InChI

InChI=1S/C17H15N5O2S/c1-10(16(23)21-13-5-3-4-6-14(13)24-2)25-17-12(9-19)7-11(8-18)15(20)22-17/h3-7,10H,1-2H3,(H2,20,22)(H,21,23)/p+1/t10-/m1/s1