2-methylsulfanyl-N-[(2S)-3-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butyl]benzamide

Systemtic Name: 2-methylsulfanyl-N-[(2S)-3-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butyl]benzamide Openeye Name: 2-methylsulfanyl-N-[(2S)-3-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butyl]benzamide CAS Name: N-[(2S)-3-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butyl]-2-(methylthio)benzamide IUPAC Name: 2-methylsulfanyl-N-[(2S)-3-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butyl]benzamide Traditional Name: N-[(2S)-3-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butyl]-2-(methylthio)benzamide Formula: C22H29N2OS+ MolecularWeight: 369.54346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CNC(=O)C1=CC=CC=C1SC)[NH+]2CCC3=CC=CC=C3C2

Isomeric SMILES

CC(C)[C@@H](CNC(=O)C1=CC=CC=C1SC)[NH+]2CCC3=CC=CC=C3C2

InChI

InChI=1S/C22H28N2OS/c1-16(2)20(24-13-12-17-8-4-5-9-18(17)15-24)14-23-22(25)19-10-6-7-11-21(19)26-3/h4-11,16,20H,12-15H2,1-3H3,(H,23,25)/p+1/t20-/m1/s1