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

Systemtic Name: 6-methyl-3-(phenylmethyl)-1,3-benzothiazol-3-ium bromide Openeye Name: 3-benzyl-6-methyl-1,3-benzothiazol-3-ium bromide CAS Name: 6-methyl-3-(phenylmethyl)-1,3-benzothiazol-3-ium bromide IUPAC Name: 3-benzyl-6-methyl-1,3-benzothiazol-3-ium bromide Traditional Name: 3-benzyl-6-methyl-1,3-benzothiazol-3-ium bromide Formula: C15H14BrNS MolecularWeight: 320.24736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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