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

Systemtic Name: (2R)-2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]propanamide Openeye Name: (2R)-2-(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]propanamide CAS Name: (2R)-2-[(6-amino-3,5-dicyano-2-pyridin-1-iumyl)thio]-N-[(4-methoxyphenyl)methyl]propanamide IUPAC Name: (2R)-2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]propanamide Traditional Name: (2R)-2-[(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)thio]-N-p-anisyl-propionamide Formula: C18H18N5O2S+ MolecularWeight: 368.43282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)OC)SC2=C(C=C(C(=[NH+]2)N)C#N)C#N

Isomeric SMILES

C[C@H](C(=O)NCC1=CC=C(C=C1)OC)SC2=C(C=C(C(=[NH+]2)N)C#N)C#N

InChI

InChI=1S/C18H17N5O2S/c1-11(17(24)22-10-12-3-5-15(25-2)6-4-12)26-18-14(9-20)7-13(8-19)16(21)23-18/h3-7,11H,10H2,1-2H3,(H2,21,23)(H,22,24)/p+1/t11-/m1/s1