2-(1,3-benzothiazol-3-ium-3-yl)-1-morpholin-4-yl-ethanone bromide

Systemtic Name: 2-(1,3-benzothiazol-3-ium-3-yl)-1-morpholin-4-yl-ethanone bromide Openeye Name: 2-(1,3-benzothiazol-3-ium-3-yl)-1-morpholino-ethanone bromide CAS Name: 2-(1,3-benzothiazol-3-ium-3-yl)-1-(4-morpholinyl)ethanone bromide IUPAC Name: 2-(1,3-benzothiazol-3-ium-3-yl)-1-morpholin-4-ylethanone bromide Traditional Name: 2-(1,3-benzothiazol-3-ium-3-yl)-1-morpholino-ethanone bromide Formula: C13H15BrN2O2S MolecularWeight: 343.2394

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C[N+]2=CSC3=CC=CC=C32.[Br-]

Isomeric SMILES

C1COCCN1C(=O)C[N+]2=CSC3=CC=CC=C32.[Br-]

InChI

InChI=1S/C13H15N2O2S.BrH/c16-13(14-5-7-17-8-6-14)9-15-10-18-12-4-2-1-3-11(12)15;/h1-4,10H,5-9H2;1H/q+1;/p-1