2-[(2Z)-6-methyl-2-[(1-methylpyridin-1-ium-2-yl)methylidene]-1,3-benzothiazol-3-yl]ethanol iodide

Systemtic Name: 2-[(2Z)-6-methyl-2-[(1-methylpyridin-1-ium-2-yl)methylidene]-1,3-benzothiazol-3-yl]ethanol iodide Openeye Name: 2-[(2Z)-6-methyl-2-[(1-methylpyridin-1-ium-2-yl)methylene]-1,3-benzothiazol-3-yl]ethanol iodide CAS Name: 2-[(2Z)-6-methyl-2-[(1-methyl-2-pyridin-1-iumyl)methylidene]-1,3-benzothiazol-3-yl]ethanol iodide IUPAC Name: 2-[(2Z)-6-methyl-2-[(1-methylpyridin-1-ium-2-yl)methylidene]-1,3-benzothiazol-3-yl]ethanol iodide Traditional Name: 2-[(2Z)-6-methyl-2-[(1-methylpyridin-1-ium-2-yl)methylene]-1,3-benzothiazol-3-yl]ethanol iodide Formula: C17H19IN2OS MolecularWeight: 426.31503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=CC3=CC=CC=[N+]3C)S2)CCO.[I-]

Isomeric SMILES

CC1=CC2=C(C=C1)N(/C(=C/C3=CC=CC=[N+]3C)/S2)CCO.[I-]

InChI

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