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

Systemtic Name: 2-[(4-cyano-1-pyrrolidin-1-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)sulfanyl]-N-methyl-N-phenyl-ethanamide Openeye Name: 2-[(4-cyano-1-pyrrolidin-1-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)sulfanyl]-N-methyl-N-phenyl-acetamide CAS Name: 2-[[4-cyano-1-(1-pyrrolidinyl)-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl]thio]-N-methyl-N-phenylacetamide IUPAC Name: 2-[(4-cyano-1-pyrrolidin-1-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)sulfanyl]-N-methyl-N-phenylacetamide Traditional Name: 2-[(4-cyano-1-pyrrolidino-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)thio]-N-methyl-N-phenyl-acetamide Formula: C23H27N4OS+ MolecularWeight: 407.55168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C(=O)CSC2=[NH+]C(=C3CCCCC3=C2C#N)N4CCCC4

Isomeric SMILES

CN(C1=CC=CC=C1)C(=O)CSC2=[NH+]C(=C3CCCCC3=C2C#N)N4CCCC4

InChI

InChI=1S/C23H26N4OS/c1-26(17-9-3-2-4-10-17)21(28)16-29-23-20(15-24)18-11-5-6-12-19(18)22(25-23)27-13-7-8-14-27/h2-4,9-10H,5-8,11-14,16H2,1H3/p+1