N-[(2Z)-3-butyl-2-[(1-methylpyridin-1-ium-2-yl)methylidene]-1,3-benzothiazol-6-yl]ethanamide iodide

Systemtic Name: N-[(2Z)-3-butyl-2-[(1-methylpyridin-1-ium-2-yl)methylidene]-1,3-benzothiazol-6-yl]ethanamide iodide Openeye Name: N-[(2Z)-3-butyl-2-[(1-methylpyridin-1-ium-2-yl)methylene]-1,3-benzothiazol-6-yl]acetamide iodide CAS Name: N-[(2Z)-3-butyl-2-[(1-methyl-2-pyridin-1-iumyl)methylidene]-1,3-benzothiazol-6-yl]acetamide iodide IUPAC Name: N-[(2Z)-3-butyl-2-[(1-methylpyridin-1-ium-2-yl)methylidene]-1,3-benzothiazol-6-yl]acetamide iodide Traditional Name: N-[(2Z)-3-butyl-2-[(1-methylpyridin-1-ium-2-yl)methylene]-1,3-benzothiazol-6-yl]acetamide iodide Formula: C20H24IN3OS MolecularWeight: 481.39353

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)NC(=O)C)SC1=CC3=CC=CC=[N+]3C.[I-]

Isomeric SMILES

CCCCN\1C2=C(C=C(C=C2)NC(=O)C)S/C1=C\C3=CC=CC=[N+]3C.[I-]

InChI

InChI=1S/C20H23N3OS.HI/c1-4-5-12-23-18-10-9-16(21-15(2)24)13-19(18)25-20(23)14-17-8-6-7-11-22(17)3;/h6-11,13-14H,4-5,12H2,1-3H3;1H