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

Systemtic Name: 2-(1,3-benzothiazol-3-ium-3-yl)-N-propyl-ethanamide bromide Openeye Name: 2-(1,3-benzothiazol-3-ium-3-yl)-N-propyl-acetamide bromide CAS Name: 2-(1,3-benzothiazol-3-ium-3-yl)-N-propylacetamide bromide IUPAC Name: 2-(1,3-benzothiazol-3-ium-3-yl)-N-propylacetamide bromide Traditional Name: 2-(1,3-benzothiazol-3-ium-3-yl)-N-propyl-acetamide bromide Formula: C12H15BrN2OS MolecularWeight: 315.2293

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2OS.BrH/c1-2-7-13-12(15)8-14-9-16-11-6-4-3-5-10(11)14;/h3-6,9H,2,7-8H2,1H3;1H