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

Systemtic Name: 2-[[4-cyano-1-(4-methylphenyl)-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-cyano-1-(p-tolyl)-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl]sulfanyl]acetamide CAS Name: 2-[[4-cyano-1-(4-methylphenyl)-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl]thio]acetamide IUPAC Name: 2-[[4-cyano-1-(4-methylphenyl)-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-cyano-1-(p-tolyl)-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl]thio]acetamide Formula: C19H20N3OS+ MolecularWeight: 338.4466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C3CCCCC3=C(C(=[NH+]2)SCC(=O)N)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=C3CCCCC3=C(C(=[NH+]2)SCC(=O)N)C#N

InChI

InChI=1S/C19H19N3OS/c1-12-6-8-13(9-7-12)18-15-5-3-2-4-14(15)16(10-20)19(22-18)24-11-17(21)23/h6-9H,2-5,11H2,1H3,(H2,21,23)/p+1