N-(2-methylsulfanylphenyl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)ethanamide

Systemtic Name: N-(2-methylsulfanylphenyl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)ethanamide Openeye Name: N-(2-methylsulfanylphenyl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)acetamide CAS Name: N-[2-(methylthio)phenyl]-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)acetamide IUPAC Name: N-(2-methylsulfanylphenyl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)acetamide Traditional Name: N-[2-(methylthio)phenyl]-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)acetamide Formula: C18H21N2OS+ MolecularWeight: 313.43714

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)C[N+]2=CC3=C(CCCC3)C=C2

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)C[N+]2=CC3=C(CCCC3)C=C2

InChI

InChI=1S/C18H20N2OS/c1-22-17-9-5-4-8-16(17)19-18(21)13-20-11-10-14-6-2-3-7-15(14)12-20/h4-5,8-12H,2-3,6-7,13H2,1H3/p+1