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

Systemtic Name: 3-[[4-(bromomethyl)phenyl]methyl]-6-methyl-1,3-benzothiazol-3-ium bromide Openeye Name: 3-[[4-(bromomethyl)phenyl]methyl]-6-methyl-1,3-benzothiazol-3-ium bromide CAS Name: 3-[[4-(bromomethyl)phenyl]methyl]-6-methyl-1,3-benzothiazol-3-ium bromide IUPAC Name: 3-[[4-(bromomethyl)phenyl]methyl]-6-methyl-1,3-benzothiazol-3-ium bromide Traditional Name: 3-[4-(bromomethyl)benzyl]-6-methyl-1,3-benzothiazol-3-ium bromide Formula: C16H15Br2NS MolecularWeight: 413.17

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15BrNS.BrH/c1-12-2-7-15-16(8-12)19-11-18(15)10-14-5-3-13(9-17)4-6-14;/h2-8,11H,9-10H2,1H3;1H/q+1;/p-1