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

Systemtic Name: 2-(1,3-benzothiazol-3-ium-3-yl)-N-prop-2-enyl-ethanamide bromide Openeye Name: N-allyl-2-(1,3-benzothiazol-3-ium-3-yl)acetamide bromide CAS Name: 2-(1,3-benzothiazol-3-ium-3-yl)-N-prop-2-enylacetamide bromide IUPAC Name: 2-(1,3-benzothiazol-3-ium-3-yl)-N-prop-2-enylacetamide bromide Traditional Name: N-allyl-2-(1,3-benzothiazol-3-ium-3-yl)acetamide bromide Formula: C12H13BrN2OS MolecularWeight: 313.21342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N2OS.BrH/c1-2-7-13-12(15)8-14-9-16-11-6-4-3-5-10(11)14;/h2-6,9H,1,7-8H2;1H