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

Systemtic Name: (2R)-2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-(5-chloranyl-2-methoxy-phenyl)propanamide Openeye Name: (2R)-2-(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-(5-chloro-2-methoxy-phenyl)propanamide CAS Name: (2R)-2-[(6-amino-3,5-dicyano-2-pyridin-1-iumyl)thio]-N-(5-chloro-2-methoxyphenyl)propanamide IUPAC Name: (2R)-2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-(5-chloro-2-methoxyphenyl)propanamide Traditional Name: (2R)-2-[(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)thio]-N-(5-chloro-2-methoxy-phenyl)propionamide Formula: C17H15ClN5O2S+ MolecularWeight: 388.8513

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)Cl)OC)SC2=C(C=C(C(=[NH+]2)N)C#N)C#N

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=CC(=C1)Cl)OC)SC2=C(C=C(C(=[NH+]2)N)C#N)C#N

InChI

InChI=1S/C17H14ClN5O2S/c1-9(16(24)22-13-6-12(18)3-4-14(13)25-2)26-17-11(8-20)5-10(7-19)15(21)23-17/h3-6,9H,1-2H3,(H2,21,23)(H,22,24)/p+1/t9-/m1/s1