2-(isoquinolin-2-ium-5-ylsulfonylamino)ethylazanium dichloride

Systemtic Name: 2-(isoquinolin-2-ium-5-ylsulfonylamino)ethylazanium dichloride Openeye Name: 2-(isoquinolin-2-ium-5-ylsulfonylamino)ethylammonium dichloride CAS Name: 2-(5-isoquinolin-2-iumylsulfonylamino)ethylammonium dichloride IUPAC Name: 2-(isoquinolin-2-ium-5-ylsulfonylamino)ethylazanium dichloride Traditional Name: 2-(isoquinolin-2-ium-5-ylsulfonylamino)ethylammonium dichloride Formula: C11H15Cl2N3O2S MolecularWeight: 324.2267

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C[NH+]=C2)C(=C1)S(=O)(=O)NCC[NH3+].[Cl-].[Cl-]

Isomeric SMILES

C1=CC2=C(C=C[NH+]=C2)C(=C1)S(=O)(=O)NCC[NH3+].[Cl-].[Cl-]

InChI

InChI=1S/C11H13N3O2S.2ClH/c12-5-7-14-17(15,16)11-3-1-2-9-8-13-6-4-10(9)11;;/h1-4,6,8,14H,5,7,12H2;2*1H