(2Z)-2-[(1-butyl-2,6-dimethyl-pyridin-1-ium-4-yl)methylidene]-3-methyl-1,3-benzothiazole iodide

Systemtic Name: (2Z)-2-[(1-butyl-2,6-dimethyl-pyridin-1-ium-4-yl)methylidene]-3-methyl-1,3-benzothiazole iodide Openeye Name: (2Z)-2-[(1-butyl-2,6-dimethyl-pyridin-1-ium-4-yl)methylene]-3-methyl-1,3-benzothiazole iodide CAS Name: (2Z)-2-[(1-butyl-2,6-dimethyl-4-pyridin-1-iumyl)methylidene]-3-methyl-1,3-benzothiazole iodide IUPAC Name: (2Z)-2-[(1-butyl-2,6-dimethylpyridin-1-ium-4-yl)methylidene]-3-methyl-1,3-benzothiazole iodide Traditional Name: (2Z)-2-[(1-butyl-2,6-dimethyl-pyridin-1-ium-4-yl)methylene]-3-methyl-1,3-benzothiazole iodide Formula: C20H25IN2S MolecularWeight: 452.39537

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=C(C=C(C=C1C)C=C2N(C3=CC=CC=C3S2)C)C.[I-]

Isomeric SMILES

CCCC[N+]1=C(C=C(C=C1C)/C=C\2/N(C3=CC=CC=C3S2)C)C.[I-]

InChI

InChI=1S/C20H25N2S.HI/c1-5-6-11-22-15(2)12-17(13-16(22)3)14-20-21(4)18-9-7-8-10-19(18)23-20;/h7-10,12-14H,5-6,11H2,1-4H3;1H/q+1;/p-1