N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanamide

Systemtic Name: N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanamide Openeye Name: N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide CAS Name: N-methyl-N-[[4-(methylthio)phenyl]methyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide IUPAC Name: N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Traditional Name: N-methyl-N-[4-(methylthio)benzyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Formula: C20H25N2OS+ MolecularWeight: 341.4903

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)SC)C(=O)C[NH+]2CCC3=CC=CC=C3C2

Isomeric SMILES

CN(CC1=CC=C(C=C1)SC)C(=O)C[NH+]2CCC3=CC=CC=C3C2

InChI

InChI=1S/C20H24N2OS/c1-21(13-16-7-9-19(24-2)10-8-16)20(23)15-22-12-11-17-5-3-4-6-18(17)14-22/h3-10H,11-15H2,1-2H3/p+1