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

Systemtic Name: (3R)-N-(3-methylsulfanylphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Openeye Name: (3R)-N-(3-methylsulfanylphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide CAS Name: (3R)-N-[3-(methylthio)phenyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide IUPAC Name: (3R)-N-(3-methylsulfanylphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Traditional Name: (3R)-N-[3-(methylthio)phenyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Formula: C17H19N2OS+ MolecularWeight: 299.41056

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)C2CC3=CC=CC=C3C[NH2+]2

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)[C@H]2CC3=CC=CC=C3C[NH2+]2

InChI

InChI=1S/C17H18N2OS/c1-21-15-8-4-7-14(10-15)19-17(20)16-9-12-5-2-3-6-13(12)11-18-16/h2-8,10,16,18H,9,11H2,1H3,(H,19,20)/p+1/t16-/m1/s1