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

Systemtic Name: 2-(1,3-benzothiazol-3-ium-3-yl)-N-(phenylmethyl)ethanamide bromide hydrate Openeye Name: 2-(1,3-benzothiazol-3-ium-3-yl)-N-benzyl-acetamide bromide hydrate CAS Name: 2-(1,3-benzothiazol-3-ium-3-yl)-N-(phenylmethyl)acetamide bromide hydrate IUPAC Name: 2-(1,3-benzothiazol-3-ium-3-yl)-N-benzylacetamide bromide hydrate Traditional Name: 2-(1,3-benzothiazol-3-ium-3-yl)-N-benzyl-acetamide bromide hydrate Formula: C16H17BrN2O2S MolecularWeight: 381.28738

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C[N+]2=CSC3=CC=CC=C32.O.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)C[N+]2=CSC3=CC=CC=C32.O.[Br-]

InChI

InChI=1S/C16H14N2OS.BrH.H2O/c19-16(17-10-13-6-2-1-3-7-13)11-18-12-20-15-9-5-4-8-14(15)18;;/h1-9,12H,10-11H2;1H;1H2