3-[(4-bromophenyl)methyl]-6-methyl-1,3-benzothiazol-3-ium bromide

Systemtic Name: 3-[(4-bromophenyl)methyl]-6-methyl-1,3-benzothiazol-3-ium bromide Openeye Name: 3-[(4-bromophenyl)methyl]-6-methyl-1,3-benzothiazol-3-ium bromide CAS Name: 3-[(4-bromophenyl)methyl]-6-methyl-1,3-benzothiazol-3-ium bromide IUPAC Name: 3-[(4-bromophenyl)methyl]-6-methyl-1,3-benzothiazol-3-ium bromide Traditional Name: 3-(4-bromobenzyl)-6-methyl-1,3-benzothiazol-3-ium bromide Formula: C15H13Br2NS MolecularWeight: 399.14342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)[N+](=CS2)CC3=CC=C(C=C3)Br.[Br-]

Isomeric SMILES

CC1=CC2=C(C=C1)[N+](=CS2)CC3=CC=C(C=C3)Br.[Br-]

InChI

InChI=1S/C15H13BrNS.BrH/c1-11-2-7-14-15(8-11)18-10-17(14)9-12-3-5-13(16)6-4-12;/h2-8,10H,9H2,1H3;1H/q+1;/p-1