3-(phenylmethyl)-1,3-benzothiazol-3-ium bromide

Systemtic Name: 3-(phenylmethyl)-1,3-benzothiazol-3-ium bromide Openeye Name: 3-benzyl-1,3-benzothiazol-3-ium bromide CAS Name: 3-(phenylmethyl)-1,3-benzothiazol-3-ium bromide IUPAC Name: 3-benzyl-1,3-benzothiazol-3-ium bromide Traditional Name: 3-benzyl-1,3-benzothiazol-3-ium bromide Formula: C14H12BrNS MolecularWeight: 306.22078

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=CSC3=CC=CC=C32.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=CSC3=CC=CC=C32.[Br-]

InChI

InChI=1S/C14H12NS.BrH/c1-2-6-12(7-3-1)10-15-11-16-14-9-5-4-8-13(14)15;/h1-9,11H,10H2;1H/q+1;/p-1