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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC2=[NH+]C(=C3CCCCC3=C2C#N)N4CCOCC4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSC2=[NH+]C(=C3CCCCC3=C2C#N)N4CCOCC4

InChI

InChI=1S/C23H26N4O2S/c1-16-6-8-17(9-7-16)25-21(28)15-30-23-20(14-24)18-4-2-3-5-19(18)22(26-23)27-10-12-29-13-11-27/h6-9H,2-5,10-13,15H2,1H3,(H,25,28)/p+1