(E)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-3-[(1-methylpyridin-1-ium-3-yl)amino]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)amino]prop-2-en-1-one iodide Openeye Name: (E)-1-(4-methyl-2-phenyl-thiazol-5-yl)-3-[(1-methylpyridin-1-ium-3-yl)amino]prop-2-en-1-one iodide CAS Name: (E)-1-(4-methyl-2-phenyl-5-thiazolyl)-3-[(1-methyl-3-pyridin-1-iumyl)amino]-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)amino]prop-2-en-1-one iodide Traditional Name: (E)-1-(4-methyl-2-phenyl-thiazol-5-yl)-3-[(1-methylpyridin-1-ium-3-yl)amino]prop-2-en-1-one iodide Formula: C19H18IN3OS MolecularWeight: 463.33519

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC=CC=C2)C(=O)C=CNC3=C[N+](=CC=C3)C.[I-]

Isomeric SMILES

CC1=C(SC(=N1)C2=CC=CC=C2)C(=O)/C=C/NC3=C[N+](=CC=C3)C.[I-]

InChI

InChI=1S/C19H17N3OS.HI/c1-14-18(24-19(21-14)15-7-4-3-5-8-15)17(23)10-11-20-16-9-6-12-22(2)13-16;/h3-13H,1-2H3;1H