N-(2-methylsulfonylphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanamide

Systemtic Name: N-(2-methylsulfonylphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanamide Openeye Name: N-(2-methylsulfonylphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide CAS Name: N-(2-methylsulfonylphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide IUPAC Name: N-(2-methylsulfonylphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Traditional Name: N-(2-mesylphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Formula: C18H21N2O3S+ MolecularWeight: 345.43594

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1NC(=O)C[NH+]2CCC3=CC=CC=C3C2

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1NC(=O)C[NH+]2CCC3=CC=CC=C3C2

InChI

InChI=1S/C18H20N2O3S/c1-24(22,23)17-9-5-4-8-16(17)19-18(21)13-20-11-10-14-6-2-3-7-15(14)12-20/h2-9H,10-13H2,1H3,(H,19,21)/p+1