2-[(2E)-5-methyl-2-[(1-methylpyridin-1-ium-3-yl)methylidene]-1,3-benzothiazol-3-yl]ethanol

Systemtic Name: 2-[(2E)-5-methyl-2-[(1-methylpyridin-1-ium-3-yl)methylidene]-1,3-benzothiazol-3-yl]ethanol Openeye Name: 2-[(2E)-5-methyl-2-[(1-methylpyridin-1-ium-3-yl)methylene]-1,3-benzothiazol-3-yl]ethanol CAS Name: 2-[(2E)-5-methyl-2-[(1-methyl-3-pyridin-1-iumyl)methylidene]-1,3-benzothiazol-3-yl]ethanol IUPAC Name: 2-[(2E)-5-methyl-2-[(1-methylpyridin-1-ium-3-yl)methylidene]-1,3-benzothiazol-3-yl]ethanol Traditional Name: 2-[(2E)-5-methyl-2-[(1-methylpyridin-1-ium-3-yl)methylene]-1,3-benzothiazol-3-yl]ethanol Formula: C17H19N2OS+ MolecularWeight: 299.41056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC(=CC3=C[N+](=CC=C3)C)N2CCO

Isomeric SMILES

CC1=CC2=C(C=C1)S/C(=C/C3=C[N+](=CC=C3)C)/N2CCO

InChI

InChI=1S/C17H19N2OS/c1-13-5-6-16-15(10-13)19(8-9-20)17(21-16)11-14-4-3-7-18(2)12-14/h3-7,10-12,20H,8-9H2,1-2H3/q+1/b17-11+