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

Systemtic Name: 2-methyl-3-prop-2-ynyl-1,3-benzothiazol-3-ium bromide Openeye Name: 2-methyl-3-prop-2-ynyl-1,3-benzothiazol-3-ium bromide CAS Name: 2-methyl-3-prop-2-ynyl-1,3-benzothiazol-3-ium bromide IUPAC Name: 2-methyl-3-prop-2-ynyl-1,3-benzothiazol-3-ium bromide Traditional Name: 2-methyl-3-propargyl-1,3-benzothiazol-3-ium bromide Formula: C11H10BrNS MolecularWeight: 268.1728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=CC=CC=C2S1)CC#C.[Br-]

Isomeric SMILES

CC1=[N+](C2=CC=CC=C2S1)CC#C.[Br-]

InChI

InChI=1S/C11H10NS.BrH/c1-3-8-12-9(2)13-11-7-5-4-6-10(11)12;/h1,4-7H,8H2,2H3;1H/q+1;/p-1