2-[(4-cyano-1-piperidin-1-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)ethanamide

Systemtic Name: 2-[(4-cyano-1-piperidin-1-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)ethanamide Openeye Name: 2-[[4-cyano-1-(1-piperidyl)-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl]sulfanyl]-N-thiazol-2-yl-acetamide CAS Name: 2-[[4-cyano-1-(1-piperidinyl)-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl]thio]-N-(2-thiazolyl)acetamide IUPAC Name: 2-[(4-cyano-1-piperidin-1-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide Traditional Name: 2-[(4-cyano-1-piperidino-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)thio]-N-thiazol-2-yl-acetamide Formula: C20H24N5OS2+ MolecularWeight: 414.56746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C3CCCCC3=C(C(=[NH+]2)SCC(=O)NC4=NC=CS4)C#N

Isomeric SMILES

C1CCN(CC1)C2=C3CCCCC3=C(C(=[NH+]2)SCC(=O)NC4=NC=CS4)C#N

InChI

InChI=1S/C20H23N5OS2/c21-12-16-14-6-2-3-7-15(14)18(25-9-4-1-5-10-25)24-19(16)28-13-17(26)23-20-22-8-11-27-20/h8,11H,1-7,9-10,13H2,(H,22,23,26)/p+1