6-(2,5-dimethyl-1,3-benzoxazol-3-ium-3-yl)hexanoic acid bromide

Systemtic Name: 6-(2,5-dimethyl-1,3-benzoxazol-3-ium-3-yl)hexanoic acid bromide Openeye Name: 6-(2,5-dimethyl-1,3-benzoxazol-3-ium-3-yl)hexanoic acid bromide CAS Name: 6-(2,5-dimethyl-1,3-benzoxazol-3-ium-3-yl)hexanoic acid bromide IUPAC Name: 6-(2,5-dimethyl-1,3-benzoxazol-3-ium-3-yl)hexanoic acid bromide Traditional Name: 6-(2,5-dimethyl-1,3-benzoxazol-3-ium-3-yl)hexanoic acid bromide Formula: C15H20BrNO3 MolecularWeight: 342.2282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=[N+]2CCCCCC(=O)O)C.[Br-]

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=[N+]2CCCCCC(=O)O)C.[Br-]

InChI

InChI=1S/C15H19NO3.BrH/c1-11-7-8-14-13(10-11)16(12(2)19-14)9-5-3-4-6-15(17)18;/h7-8,10H,3-6,9H2,1-2H3;1H