7-(trichloromethylsulfonyl)-1,2,3,4-tetrahydroisoquinolin-2-ium chloride

Systemtic Name: 7-(trichloromethylsulfonyl)-1,2,3,4-tetrahydroisoquinolin-2-ium chloride Openeye Name: 7-(trichloromethylsulfonyl)-1,2,3,4-tetrahydroisoquinolin-2-ium chloride CAS Name: 7-(trichloromethylsulfonyl)-1,2,3,4-tetrahydroisoquinolin-2-ium chloride IUPAC Name: 7-(trichloromethylsulfonyl)-1,2,3,4-tetrahydroisoquinolin-2-ium chloride Traditional Name: 7-(trichloromethylsulfonyl)-1,2,3,4-tetrahydroisoquinolin-2-ium chloride Formula: C10H11Cl4NO2S MolecularWeight: 351.07684

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CC2=C1C=CC(=C2)S(=O)(=O)C(Cl)(Cl)Cl.[Cl-]

Isomeric SMILES

C1C[NH2+]CC2=C1C=CC(=C2)S(=O)(=O)C(Cl)(Cl)Cl.[Cl-]

InChI

InChI=1S/C10H10Cl3NO2S.ClH/c11-10(12,13)17(15,16)9-2-1-7-3-4-14-6-8(7)5-9;/h1-2,5,14H,3-4,6H2;1H