3-methyl-2-quinolin-2-yl-1,3-benzothiazol-3-ium iodide

Systemtic Name: 3-methyl-2-quinolin-2-yl-1,3-benzothiazol-3-ium iodide Openeye Name: 3-methyl-2-(2-quinolyl)-1,3-benzothiazol-3-ium iodide CAS Name: 3-methyl-2-(2-quinolinyl)-1,3-benzothiazol-3-ium iodide IUPAC Name: 3-methyl-2-quinolin-2-yl-1,3-benzothiazol-3-ium iodide Traditional Name: 3-methyl-2-(2-quinolyl)-1,3-benzothiazol-3-ium iodide Formula: C17H13IN2S MolecularWeight: 404.26799

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(SC2=CC=CC=C21)C3=NC4=CC=CC=C4C=C3.[I-]

Isomeric SMILES

C[N+]1=C(SC2=CC=CC=C21)C3=NC4=CC=CC=C4C=C3.[I-]

InChI

InChI=1S/C17H13N2S.HI/c1-19-15-8-4-5-9-16(15)20-17(19)14-11-10-12-6-2-3-7-13(12)18-14;/h2-11H,1H3;1H/q+1;/p-1