(E)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-3-(1-methylpyridin-1-ium-3-yl)prop-2-en-1-one iodide

Systemtic Name: (E)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-3-(1-methylpyridin-1-ium-3-yl)prop-2-en-1-one iodide Openeye Name: (E)-1-(4-methyl-2-phenyl-thiazol-5-yl)-3-(1-methylpyridin-1-ium-3-yl)prop-2-en-1-one iodide CAS Name: (E)-1-(4-methyl-2-phenyl-5-thiazolyl)-3-(1-methyl-3-pyridin-1-iumyl)-2-propen-1-one iodide IUPAC Name: (E)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-3-(1-methylpyridin-1-ium-3-yl)prop-2-en-1-one iodide Traditional Name: (E)-1-(4-methyl-2-phenyl-thiazol-5-yl)-3-(1-methylpyridin-1-ium-3-yl)prop-2-en-1-one iodide Formula: C19H17IN2OS MolecularWeight: 448.32055

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC=CC=C2)C(=O)C=CC3=C[N+](=CC=C3)C.[I-]

Isomeric SMILES

CC1=C(SC(=N1)C2=CC=CC=C2)C(=O)/C=C/C3=C[N+](=CC=C3)C.[I-]

InChI

InChI=1S/C19H17N2OS.HI/c1-14-18(23-19(20-14)16-8-4-3-5-9-16)17(22)11-10-15-7-6-12-21(2)13-15;/h3-13H,1-2H3;1H/q+1;/p-1/b11-10+;