1-(2-azanyl-4,5,6,7-tetrahydro-1,3-benzoxazol-3-ium-3-yl)butan-2-one bromide

Systemtic Name: 1-(2-azanyl-4,5,6,7-tetrahydro-1,3-benzoxazol-3-ium-3-yl)butan-2-one bromide Openeye Name: 1-(2-amino-4,5,6,7-tetrahydro-1,3-benzoxazol-3-ium-3-yl)butan-2-one bromide CAS Name: 1-(2-amino-4,5,6,7-tetrahydro-1,3-benzoxazol-3-ium-3-yl)-2-butanone bromide IUPAC Name: 1-(2-amino-4,5,6,7-tetrahydro-1,3-benzoxazol-3-ium-3-yl)butan-2-one bromide Traditional Name: 1-(2-amino-4,5,6,7-tetrahydro-1,3-benzoxazol-3-ium-3-yl)butan-2-one bromide Formula: C11H17BrN2O2 MolecularWeight: 289.16888

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C[N+]1=C(OC2=C1CCCC2)N.[Br-]

Isomeric SMILES

CCC(=O)C[N+]1=C(OC2=C1CCCC2)N.[Br-]

InChI

InChI=1S/C11H16N2O2.BrH/c1-2-8(14)7-13-9-5-3-4-6-10(9)15-11(13)12;/h12H,2-7H2,1H3;1H