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

Systemtic Name: 2-[(4-cyano-1-pyrrolidin-1-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)sulfanyl]-N-(2-methoxyphenyl)ethanamide Openeye Name: 2-[(4-cyano-1-pyrrolidin-1-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide CAS Name: 2-[[4-cyano-1-(1-pyrrolidinyl)-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl]thio]-N-(2-methoxyphenyl)acetamide IUPAC Name: 2-[(4-cyano-1-pyrrolidin-1-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide Traditional Name: 2-[(4-cyano-1-pyrrolidino-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)thio]-N-(2-methoxyphenyl)acetamide Formula: C23H27N4O2S+ MolecularWeight: 423.55108

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)CSC2=[NH+]C(=C3CCCCC3=C2C#N)N4CCCC4

Isomeric SMILES

COC1=CC=CC=C1NC(=O)CSC2=[NH+]C(=C3CCCCC3=C2C#N)N4CCCC4

InChI

InChI=1S/C23H26N4O2S/c1-29-20-11-5-4-10-19(20)25-21(28)15-30-23-18(14-24)16-8-2-3-9-17(16)22(26-23)27-12-6-7-13-27/h4-5,10-11H,2-3,6-9,12-13,15H2,1H3,(H,25,28)/p+1