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

Systemtic Name: 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-1-ium-2-yl)sulfanyl]-N-(4-methoxyphenyl)ethanamide Openeye Name: 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-1-ium-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide CAS Name: 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-1-ium-2-yl)thio]-N-(4-methoxyphenyl)acetamide IUPAC Name: 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-1-ium-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide Traditional Name: 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-1-ium-2-yl)thio]-N-(4-methoxyphenyl)acetamide Formula: C19H20N3O2S+ MolecularWeight: 354.446

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)CSC2=[NH+]C3=C(CCCC3)C=C2C#N

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)CSC2=[NH+]C3=C(CCCC3)C=C2C#N

InChI

InChI=1S/C19H19N3O2S/c1-24-16-8-6-15(7-9-16)21-18(23)12-25-19-14(11-20)10-13-4-2-3-5-17(13)22-19/h6-10H,2-5,12H2,1H3,(H,21,23)/p+1