1-(4-chlorophenyl)-3-(4,5-dimethyl-1,3-thiazol-3-ium-3-yl)propan-1-one chloride

Systemtic Name: 1-(4-chlorophenyl)-3-(4,5-dimethyl-1,3-thiazol-3-ium-3-yl)propan-1-one chloride Openeye Name: 1-(4-chlorophenyl)-3-(4,5-dimethylthiazol-3-ium-3-yl)propan-1-one chloride CAS Name: 1-(4-chlorophenyl)-3-(4,5-dimethyl-3-thiazol-3-iumyl)-1-propanone chloride IUPAC Name: 1-(4-chlorophenyl)-3-(4,5-dimethyl-1,3-thiazol-3-ium-3-yl)propan-1-one chloride Traditional Name: 1-(4-chlorophenyl)-3-(4,5-dimethylthiazol-3-ium-3-yl)propan-1-one chloride Formula: C14H15Cl2NOS MolecularWeight: 316.246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=[N+]1CCC(=O)C2=CC=C(C=C2)Cl)C.[Cl-]

Isomeric SMILES

CC1=C(SC=[N+]1CCC(=O)C2=CC=C(C=C2)Cl)C.[Cl-]

InChI

InChI=1S/C14H15ClNOS.ClH/c1-10-11(2)18-9-16(10)8-7-14(17)12-3-5-13(15)6-4-12;/h3-6,9H,7-8H2,1-2H3;1H/q+1;/p-1