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

Systemtic Name: 2-(1,3-benzothiazol-3-ium-3-yl)-N,N-dipropyl-ethanamide bromide Openeye Name: 2-(1,3-benzothiazol-3-ium-3-yl)-N,N-dipropyl-acetamide bromide CAS Name: 2-(1,3-benzothiazol-3-ium-3-yl)-N,N-dipropylacetamide bromide IUPAC Name: 2-(1,3-benzothiazol-3-ium-3-yl)-N,N-dipropylacetamide bromide Traditional Name: 2-(1,3-benzothiazol-3-ium-3-yl)-N,N-dipropyl-acetamide bromide Formula: C15H21BrN2OS MolecularWeight: 357.30904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N2OS.BrH/c1-3-9-16(10-4-2)15(18)11-17-12-19-14-8-6-5-7-13(14)17;/h5-8,12H,3-4,9-11H2,1-2H3;1H/q+1;/p-1