N-(3-chloranyl-4-fluoranyl-phenyl)-4-methyl-3-propan-2-yl-1,3-thiazol-3-ium-2-amine iodide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-4-methyl-3-propan-2-yl-1,3-thiazol-3-ium-2-amine iodide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-3-isopropyl-4-methyl-thiazol-3-ium-2-amine iodide CAS Name: N-(3-chloro-4-fluorophenyl)-4-methyl-3-propan-2-yl-2-thiazol-3-iumamine iodide IUPAC Name: N-(3-chloro-4-fluorophenyl)-4-methyl-3-propan-2-yl-1,3-thiazol-3-ium-2-amine iodide Traditional Name: (3-chloro-4-fluoro-phenyl)-(3-isopropyl-4-methyl-thiazol-3-ium-2-yl)amine iodide Formula: C13H15ClFIN2S MolecularWeight: 412.692473

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=[N+]1C(C)C)NC2=CC(=C(C=C2)F)Cl.[I-]

Isomeric SMILES

CC1=CSC(=[N+]1C(C)C)NC2=CC(=C(C=C2)F)Cl.[I-]

InChI

InChI=1S/C13H14ClFN2S.HI/c1-8(2)17-9(3)7-18-13(17)16-10-4-5-12(15)11(14)6-10;/h4-8H,1-3H3;1H