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

Systemtic Name: 2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)sulfanyl]-N-(2-methoxyphenyl)ethanamide Openeye Name: 2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide CAS Name: 2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)thio]-N-(2-methoxyphenyl)acetamide IUPAC Name: 2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide Traditional Name: 2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)thio]-N-(2-methoxyphenyl)acetamide Formula: C20H22N3O2S+ MolecularWeight: 368.47258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCCCC2=C(C(=[NH+]1)SCC(=O)NC3=CC=CC=C3OC)C#N

Isomeric SMILES

CC1=C2CCCCC2=C(C(=[NH+]1)SCC(=O)NC3=CC=CC=C3OC)C#N

InChI

InChI=1S/C20H21N3O2S/c1-13-14-7-3-4-8-15(14)16(11-21)20(22-13)26-12-19(24)23-17-9-5-6-10-18(17)25-2/h5-6,9-10H,3-4,7-8,12H2,1-2H3,(H,23,24)/p+1