3-prop-2-ynyl-1,3-benzothiazol-3-ium bromide

Systemtic Name: 3-prop-2-ynyl-1,3-benzothiazol-3-ium bromide Openeye Name: 3-prop-2-ynyl-1,3-benzothiazol-3-ium bromide CAS Name: 3-prop-2-ynyl-1,3-benzothiazol-3-ium bromide IUPAC Name: 3-prop-2-ynyl-1,3-benzothiazol-3-ium bromide Traditional Name: 3-propargyl-1,3-benzothiazol-3-ium bromide Formula: C10H8BrNS MolecularWeight: 254.14622

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Descriptors Computed from Structure

Canonical SMILES:

C#CC[N+]1=CSC2=CC=CC=C21.[Br-]

Isomeric SMILES

C#CC[N+]1=CSC2=CC=CC=C21.[Br-]

InChI

InChI=1S/C10H8NS.BrH/c1-2-7-11-8-12-10-6-4-3-5-9(10)11;/h1,3-6,8H,7H2;1H/q+1;/p-1