4-[2-(4,5-dimethyl-1,3-thiazol-3-ium-3-yl)ethanoylamino]benzoic acid chloride

Systemtic Name: 4-[2-(4,5-dimethyl-1,3-thiazol-3-ium-3-yl)ethanoylamino]benzoic acid chloride Openeye Name: 4-[[2-(4,5-dimethylthiazol-3-ium-3-yl)acetyl]amino]benzoic acid chloride CAS Name: 4-[[2-(4,5-dimethyl-3-thiazol-3-iumyl)-1-oxoethyl]amino]benzoic acid chloride IUPAC Name: 4-[[2-(4,5-dimethyl-1,3-thiazol-3-ium-3-yl)acetyl]amino]benzoic acid chloride Traditional Name: 4-[[2-(4,5-dimethylthiazol-3-ium-3-yl)acetyl]amino]benzoic acid chloride Formula: C14H15ClN2O3S MolecularWeight: 326.7985

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=[N+]1CC(=O)NC2=CC=C(C=C2)C(=O)O)C.[Cl-]

Isomeric SMILES

CC1=C(SC=[N+]1CC(=O)NC2=CC=C(C=C2)C(=O)O)C.[Cl-]

InChI

InChI=1S/C14H14N2O3S.ClH/c1-9-10(2)20-8-16(9)7-13(17)15-12-5-3-11(4-6-12)14(18)19;/h3-6,8H,7H2,1-2H3,(H-,15,17,18,19);1H