2-[(4-cyano-1-pyrrolidin-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-pyrrolidin-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-pyrrolidin-1-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)sulfanyl]-N-thiazol-2-yl-acetamide CAS Name: 2-[[4-cyano-1-(1-pyrrolidinyl)-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl]thio]-N-(2-thiazolyl)acetamide IUPAC Name: 2-[(4-cyano-1-pyrrolidin-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-pyrrolidino-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)thio]-N-thiazol-2-yl-acetamide Formula: C19H22N5OS2+ MolecularWeight: 400.54088

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C([NH+]=C(C(=C2C1)C#N)SCC(=O)NC3=NC=CS3)N4CCCC4

Isomeric SMILES

C1CCC2=C([NH+]=C(C(=C2C1)C#N)SCC(=O)NC3=NC=CS3)N4CCCC4

InChI

InChI=1S/C19H21N5OS2/c20-11-15-13-5-1-2-6-14(13)17(24-8-3-4-9-24)23-18(15)27-12-16(25)22-19-21-7-10-26-19/h7,10H,1-6,8-9,12H2,(H,21,22,25)/p+1