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

Systemtic Name: 3-methyl-2-quinolin-2-yl-1,3-benzothiazol-3-ium Openeye Name: 3-methyl-2-(2-quinolyl)-1,3-benzothiazol-3-ium CAS Name: 3-methyl-2-(2-quinolinyl)-1,3-benzothiazol-3-ium IUPAC Name: 3-methyl-2-quinolin-2-yl-1,3-benzothiazol-3-ium Traditional Name: 3-methyl-2-(2-quinolyl)-1,3-benzothiazol-3-ium Formula: C17H13N2S+ MolecularWeight: 277.36352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13N2S/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/q+1