cyclopropyl-[2-(3-methyl-2-oxidanylidene-1,3-benzoxazol-6-yl)ethyl]azanium bromide

Systemtic Name: cyclopropyl-[2-(3-methyl-2-oxidanylidene-1,3-benzoxazol-6-yl)ethyl]azanium bromide Openeye Name: cyclopropyl-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]ammonium bromide CAS Name: cyclopropyl-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]ammonium bromide IUPAC Name: cyclopropyl-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]azanium bromide Traditional Name: cyclopropyl-[2-(2-keto-3-methyl-1,3-benzoxazol-6-yl)ethyl]ammonium bromide Formula: C13H17BrN2O2 MolecularWeight: 313.19028

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)CC[NH2+]C3CC3)OC1=O.[Br-]

Isomeric SMILES

CN1C2=C(C=C(C=C2)CC[NH2+]C3CC3)OC1=O.[Br-]

InChI

InChI=1S/C13H16N2O2.BrH/c1-15-11-5-2-9(6-7-14-10-3-4-10)8-12(11)17-13(15)16;/h2,5,8,10,14H,3-4,6-7H2,1H3;1H