3-[[4-(bromomethyl)phenyl]methyl]-6-methoxy-1,3-benzothiazol-3-ium bromide

Systemtic Name: 3-[[4-(bromomethyl)phenyl]methyl]-6-methoxy-1,3-benzothiazol-3-ium bromide Openeye Name: 3-[[4-(bromomethyl)phenyl]methyl]-6-methoxy-1,3-benzothiazol-3-ium bromide CAS Name: 3-[[4-(bromomethyl)phenyl]methyl]-6-methoxy-1,3-benzothiazol-3-ium bromide IUPAC Name: 3-[[4-(bromomethyl)phenyl]methyl]-6-methoxy-1,3-benzothiazol-3-ium bromide Traditional Name: 3-[4-(bromomethyl)benzyl]-6-methoxy-1,3-benzothiazol-3-ium bromide Formula: C16H15Br2NOS MolecularWeight: 429.1694

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)[N+](=CS2)CC3=CC=C(C=C3)CBr.[Br-]

Isomeric SMILES

COC1=CC2=C(C=C1)[N+](=CS2)CC3=CC=C(C=C3)CBr.[Br-]

InChI

InChI=1S/C16H15BrNOS.BrH/c1-19-14-6-7-15-16(8-14)20-11-18(15)10-13-4-2-12(9-17)3-5-13;/h2-8,11H,9-10H2,1H3;1H/q+1;/p-1