2-(3,4-diethoxyphenyl)-4-(1-methylpyridin-1-ium-4-yl)-1,3-thiazole iodide

Systemtic Name: 2-(3,4-diethoxyphenyl)-4-(1-methylpyridin-1-ium-4-yl)-1,3-thiazole iodide Openeye Name: 2-(3,4-diethoxyphenyl)-4-(1-methylpyridin-1-ium-4-yl)thiazole iodide CAS Name: 2-(3,4-diethoxyphenyl)-4-(1-methyl-4-pyridin-1-iumyl)thiazole iodide IUPAC Name: 2-(3,4-diethoxyphenyl)-4-(1-methylpyridin-1-ium-4-yl)-1,3-thiazole iodide Traditional Name: 2-(3,4-diethoxyphenyl)-4-(1-methylpyridin-1-ium-4-yl)thiazole iodide Formula: C19H21IN2O2S MolecularWeight: 468.35171

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=NC(=CS2)C3=CC=[N+](C=C3)C)OCC.[I-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=NC(=CS2)C3=CC=[N+](C=C3)C)OCC.[I-]

InChI

InChI=1S/C19H21N2O2S.HI/c1-4-22-17-7-6-15(12-18(17)23-5-2)19-20-16(13-24-19)14-8-10-21(3)11-9-14;/h6-13H,4-5H2,1-3H3;1H/q+1;/p-1