(2R)-2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-(3,4-dimethoxyphenyl)propanamide

Systemtic Name: (2R)-2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-(3,4-dimethoxyphenyl)propanamide Openeye Name: (2R)-2-(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-(3,4-dimethoxyphenyl)propanamide CAS Name: (2R)-2-[(6-amino-3,5-dicyano-2-pyridin-1-iumyl)thio]-N-(3,4-dimethoxyphenyl)propanamide IUPAC Name: (2R)-2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-(3,4-dimethoxyphenyl)propanamide Traditional Name: (2R)-2-[(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)thio]-N-(3,4-dimethoxyphenyl)propionamide Formula: C18H18N5O3S+ MolecularWeight: 384.43222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N5O3S/c1-10(27-18-12(9-20)6-11(8-19)16(21)23-18)17(24)22-13-4-5-14(25-2)15(7-13)26-3/h4-7,10H,1-3H3,(H2,21,23)(H,22,24)/p+1/t10-/m1/s1