2-azanyl-6-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-pyridin-1-ium-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-6-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-6-[2-[(3R,5R)-3,5-dimethyl-1-piperidyl]-2-oxo-ethyl]sulfanyl-pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-6-[[2-[(3R,5R)-3,5-dimethyl-1-piperidinyl]-2-oxoethyl]thio]pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-6-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]sulfanylpyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-6-[[2-[(3R,5R)-3,5-dimethylpiperidino]-2-keto-ethyl]thio]pyridin-1-ium-3,5-dicarbonitrile Formula: C16H20N5OS+ MolecularWeight: 330.4279

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)CSC2=C(C=C(C(=[NH+]2)N)C#N)C#N)C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)C(=O)CSC2=C(C=C(C(=[NH+]2)N)C#N)C#N)C

InChI

InChI=1S/C16H19N5OS/c1-10-3-11(2)8-21(7-10)14(22)9-23-16-13(6-18)4-12(5-17)15(19)20-16/h4,10-11H,3,7-9H2,1-2H3,(H2,19,20)/p+1/t10-,11-/m1/s1