4-isoquinolin-4-yl-2-methyl-imidazole-1-sulfonic acid

Systemtic Name: 4-isoquinolin-4-yl-2-methyl-imidazole-1-sulfonic acid Openeye Name: 4-(4-isoquinolyl)-2-methyl-imidazole-1-sulfonic acid CAS Name: 4-(4-isoquinolinyl)-2-methyl-1-imidazolesulfonic acid IUPAC Name: 4-isoquinolin-4-yl-2-methylimidazole-1-sulfonic acid Traditional Name: 4-(4-isoquinolyl)-2-methyl-imidazole-1-sulfonic acid Formula: C13H11N3O3S MolecularWeight: 289.30974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CN1S(=O)(=O)O)C2=CN=CC3=CC=CC=C32

Isomeric SMILES

CC1=NC(=CN1S(=O)(=O)O)C2=CN=CC3=CC=CC=C32

InChI

InChI=1S/C13H11N3O3S/c1-9-15-13(8-16(9)20(17,18)19)12-7-14-6-10-4-2-3-5-11(10)12/h2-8H,1H3,(H,17,18,19)