(3R)-N-methyl-2-[(4-methylsulfanylphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide

Systemtic Name: (3R)-N-methyl-2-[(4-methylsulfanylphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Openeye Name: (3R)-N-methyl-2-[(4-methylsulfanylphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide CAS Name: (3R)-N-methyl-2-[[4-(methylthio)phenyl]methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide IUPAC Name: (3R)-N-methyl-2-[(4-methylsulfanylphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Traditional Name: (3R)-N-methyl-2-[4-(methylthio)benzyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Formula: C19H23N2OS+ MolecularWeight: 327.46372

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1CC2=CC=CC=C2C[NH+]1CC3=CC=C(C=C3)SC

Isomeric SMILES

CNC(=O)[C@H]1CC2=CC=CC=C2C[NH+]1CC3=CC=C(C=C3)SC

InChI

InChI=1S/C19H22N2OS/c1-20-19(22)18-11-15-5-3-4-6-16(15)13-21(18)12-14-7-9-17(23-2)10-8-14/h3-10,18H,11-13H2,1-2H3,(H,20,22)/p+1/t18-/m1/s1