4-[(2,4,5-trimethyl-1,3-oxazol-3-ium-3-yl)methyl]benzoic acid bromide

Systemtic Name: 4-[(2,4,5-trimethyl-1,3-oxazol-3-ium-3-yl)methyl]benzoic acid bromide Openeye Name: 4-[(2,4,5-trimethyloxazol-3-ium-3-yl)methyl]benzoic acid bromide CAS Name: 4-[(2,4,5-trimethyl-3-oxazol-3-iumyl)methyl]benzoic acid bromide IUPAC Name: 4-[(2,4,5-trimethyl-1,3-oxazol-3-ium-3-yl)methyl]benzoic acid bromide Traditional Name: 4-[(2,4,5-trimethyloxazol-3-ium-3-yl)methyl]benzoic acid bromide Formula: C14H16BrNO3 MolecularWeight: 326.18574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=[N+]1CC2=CC=C(C=C2)C(=O)O)C)C.[Br-]

Isomeric SMILES

CC1=C(OC(=[N+]1CC2=CC=C(C=C2)C(=O)O)C)C.[Br-]

InChI

InChI=1S/C14H15NO3.BrH/c1-9-10(2)18-11(3)15(9)8-12-4-6-13(7-5-12)14(16)17;/h4-7H,8H2,1-3H3;1H