4-methylbenzenesulfonate; (2Z)-3-methyl-2-[(1-methylquinolin-1-ium-4-yl)methylidene]-1,3-benzothiazole

Systemtic Name: 4-methylbenzenesulfonate; (2Z)-3-methyl-2-[(1-methylquinolin-1-ium-4-yl)methylidene]-1,3-benzothiazole Openeye Name: 4-methylbenzenesulfonate; (2Z)-3-methyl-2-[(1-methylquinolin-1-ium-4-yl)methylene]-1,3-benzothiazole CAS Name: 4-methylbenzenesulfonate; (2Z)-3-methyl-2-[(1-methyl-4-quinolin-1-iumyl)methylidene]-1,3-benzothiazole IUPAC Name: 4-methylbenzenesulfonate; (2Z)-3-methyl-2-[(1-methylquinolin-1-ium-4-yl)methylidene]-1,3-benzothiazole Traditional Name: (2Z)-3-methyl-2-[(1-methylquinolin-1-ium-4-yl)methylene]-1,3-benzothiazole tosylate Formula: C26H24N2O3S2 MolecularWeight: 476.61036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CN1C2=CC=CC=C2SC1=CC3=CC=[N+](C4=CC=CC=C34)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CN\1C2=CC=CC=C2S/C1=C\C3=CC=[N+](C4=CC=CC=C34)C

InChI

InChI=1S/C19H17N2S.C7H8O3S/c1-20-12-11-14(15-7-3-4-8-16(15)20)13-19-21(2)17-9-5-6-10-18(17)22-19;1-6-2-4-7(5-3-6)11(8,9)10/h3-13H,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1