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

Systemtic Name: 3-[(4-chlorophenyl)methyl]-1,3-benzothiazol-3-ium bromide Openeye Name: 3-[(4-chlorophenyl)methyl]-1,3-benzothiazol-3-ium bromide CAS Name: 3-[(4-chlorophenyl)methyl]-1,3-benzothiazol-3-ium bromide IUPAC Name: 3-[(4-chlorophenyl)methyl]-1,3-benzothiazol-3-ium bromide Traditional Name: 3-(4-chlorobenzyl)-1,3-benzothiazol-3-ium bromide Formula: C14H11BrClNS MolecularWeight: 340.66584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)[N+](=CS2)CC3=CC=C(C=C3)Cl.[Br-]

Isomeric SMILES

C1=CC=C2C(=C1)[N+](=CS2)CC3=CC=C(C=C3)Cl.[Br-]

InChI

InChI=1S/C14H11ClNS.BrH/c15-12-7-5-11(6-8-12)9-16-10-17-14-4-2-1-3-13(14)16;/h1-8,10H,9H2;1H/q+1;/p-1