2-(1,3-benzothiazol-3-ium-3-yl)-N,N-diethyl-ethanamide bromide

Systemtic Name: 2-(1,3-benzothiazol-3-ium-3-yl)-N,N-diethyl-ethanamide bromide Openeye Name: 2-(1,3-benzothiazol-3-ium-3-yl)-N,N-diethyl-acetamide bromide CAS Name: 2-(1,3-benzothiazol-3-ium-3-yl)-N,N-diethylacetamide bromide IUPAC Name: 2-(1,3-benzothiazol-3-ium-3-yl)-N,N-diethylacetamide bromide Traditional Name: 2-(1,3-benzothiazol-3-ium-3-yl)-N,N-diethyl-acetamide bromide Formula: C13H17BrN2OS MolecularWeight: 329.25588

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C[N+]1=CSC2=CC=CC=C21.[Br-]

Isomeric SMILES

CCN(CC)C(=O)C[N+]1=CSC2=CC=CC=C21.[Br-]

InChI

InChI=1S/C13H17N2OS.BrH/c1-3-14(4-2)13(16)9-15-10-17-12-8-6-5-7-11(12)15;/h5-8,10H,3-4,9H2,1-2H3;1H/q+1;/p-1