(2S)-N-(2-methylsulfanylphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanamide

Systemtic Name: (2S)-N-(2-methylsulfanylphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanamide Openeye Name: (2S)-N-(2-methylsulfanylphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanamide CAS Name: (2S)-N-[2-(methylthio)phenyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanamide IUPAC Name: (2S)-N-(2-methylsulfanylphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanamide Traditional Name: (2S)-N-[2-(methylthio)phenyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propionamide Formula: C19H23N2OS+ MolecularWeight: 327.46372

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1SC)[NH+]2CCC3=CC=CC=C3C2

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1SC)[NH+]2CCC3=CC=CC=C3C2

InChI

InChI=1S/C19H22N2OS/c1-14(19(22)20-17-9-5-6-10-18(17)23-2)21-12-11-15-7-3-4-8-16(15)13-21/h3-10,14H,11-13H2,1-2H3,(H,20,22)/p+1/t14-/m0/s1