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

Systemtic Name: 2-methyl-3-(phenylmethyl)-1,3-benzothiazol-3-ium bromide Openeye Name: 3-benzyl-2-methyl-1,3-benzothiazol-3-ium bromide CAS Name: 2-methyl-3-(phenylmethyl)-1,3-benzothiazol-3-ium bromide IUPAC Name: 3-benzyl-2-methyl-1,3-benzothiazol-3-ium bromide Traditional Name: 3-benzyl-2-methyl-1,3-benzothiazol-3-ium bromide Formula: C15H14BrNS MolecularWeight: 320.24736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=CC=CC=C2S1)CC3=CC=CC=C3.[Br-]

Isomeric SMILES

CC1=[N+](C2=CC=CC=C2S1)CC3=CC=CC=C3.[Br-]

InChI

InChI=1S/C15H14NS.BrH/c1-12-16(11-13-7-3-2-4-8-13)14-9-5-6-10-15(14)17-12;/h2-10H,11H2,1H3;1H/q+1;/p-1