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

Systemtic Name: 2-[(4-cyano-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)sulfanyl]-N-(2-methylphenyl)ethanamide Openeye Name: 2-[(4-cyano-1-morpholino-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)sulfanyl]-N-(o-tolyl)acetamide CAS Name: 2-[[4-cyano-1-(4-morpholinyl)-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl]thio]-N-(2-methylphenyl)acetamide IUPAC Name: 2-[(4-cyano-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)sulfanyl]-N-(2-methylphenyl)acetamide Traditional Name: 2-[(4-cyano-1-morpholino-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)thio]-N-(o-tolyl)acetamide Formula: C23H27N4O2S+ MolecularWeight: 423.55108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)CSC2=[NH+]C(=C3CCCCC3=C2C#N)N4CCOCC4

Isomeric SMILES

CC1=CC=CC=C1NC(=O)CSC2=[NH+]C(=C3CCCCC3=C2C#N)N4CCOCC4

InChI

InChI=1S/C23H26N4O2S/c1-16-6-2-5-9-20(16)25-21(28)15-30-23-19(14-24)17-7-3-4-8-18(17)22(26-23)27-10-12-29-13-11-27/h2,5-6,9H,3-4,7-8,10-13,15H2,1H3,(H,25,28)/p+1