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

Systemtic Name: 2-(1,3-benzothiazol-3-ium-3-yl)-1-piperidin-1-yl-ethanone bromide Openeye Name: 2-(1,3-benzothiazol-3-ium-3-yl)-1-(1-piperidyl)ethanone bromide CAS Name: 2-(1,3-benzothiazol-3-ium-3-yl)-1-(1-piperidinyl)ethanone bromide IUPAC Name: 2-(1,3-benzothiazol-3-ium-3-yl)-1-piperidin-1-ylethanone bromide Traditional Name: 2-(1,3-benzothiazol-3-ium-3-yl)-1-piperidino-ethanone bromide Formula: C14H17BrN2OS MolecularWeight: 341.26658

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C[N+]2=CSC3=CC=CC=C32.[Br-]

Isomeric SMILES

C1CCN(CC1)C(=O)C[N+]2=CSC3=CC=CC=C32.[Br-]

InChI

InChI=1S/C14H17N2OS.BrH/c17-14(15-8-4-1-5-9-15)10-16-11-18-13-7-3-2-6-12(13)16;/h2-3,6-7,11H,1,4-5,8-10H2;1H/q+1;/p-1