methyl-[(4R)-3-oxidanylidene-4,5,6,7-tetrahydro-1,2-benzoxazol-4-yl]azanium bromide

Systemtic Name: methyl-[(4R)-3-oxidanylidene-4,5,6,7-tetrahydro-1,2-benzoxazol-4-yl]azanium bromide Openeye Name: methyl-[(4R)-3-oxo-4,5,6,7-tetrahydro-1,2-benzoxazol-4-yl]ammonium bromide CAS Name: methyl-[(4R)-3-oxo-4,5,6,7-tetrahydro-1,2-benzoxazol-4-yl]ammonium bromide IUPAC Name: methyl-[(4R)-3-oxo-4,5,6,7-tetrahydro-1,2-benzoxazol-4-yl]azanium bromide Traditional Name: [(4R)-3-keto-4,5,6,7-tetrahydroindoxazen-4-yl]-methyl-ammonium bromide Formula: C8H13BrN2O2 MolecularWeight: 249.10502

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]C1CCCC2=C1C(=O)NO2.[Br-]

Isomeric SMILES

C[NH2+][C@@H]1CCCC2=C1C(=O)NO2.[Br-]

InChI

InChI=1S/C8H12N2O2.BrH/c1-9-5-3-2-4-6-7(5)8(11)10-12-6;/h5,9H,2-4H2,1H3,(H,10,11);1H/t5-;/m1./s1