2-[6-(2-acetamidoethyl)-2-oxidanylidene-1,3-benzoxazol-3-yl]ethylazanium bromide

Systemtic Name: 2-[6-(2-acetamidoethyl)-2-oxidanylidene-1,3-benzoxazol-3-yl]ethylazanium bromide Openeye Name: 2-[6-(2-acetamidoethyl)-2-oxo-1,3-benzoxazol-3-yl]ethylammonium bromide CAS Name: 2-[6-(2-acetamidoethyl)-2-oxo-1,3-benzoxazol-3-yl]ethylammonium bromide IUPAC Name: 2-[6-(2-acetamidoethyl)-2-oxo-1,3-benzoxazol-3-yl]ethylazanium bromide Traditional Name: 2-[6-(2-acetamidoethyl)-2-keto-1,3-benzoxazol-3-yl]ethylammonium bromide Formula: C13H18BrN3O3 MolecularWeight: 344.20432

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCC1=CC2=C(C=C1)N(C(=O)O2)CC[NH3+].[Br-]

Isomeric SMILES

CC(=O)NCCC1=CC2=C(C=C1)N(C(=O)O2)CC[NH3+].[Br-]

InChI

InChI=1S/C13H17N3O3.BrH/c1-9(17)15-6-4-10-2-3-11-12(8-10)19-13(18)16(11)7-5-14;/h2-3,8H,4-7,14H2,1H3,(H,15,17);1H