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

Systemtic Name: 3-[(3-bromophenyl)methyl]-6-methyl-1,3-benzothiazol-3-ium Openeye Name: 3-[(3-bromophenyl)methyl]-6-methyl-1,3-benzothiazol-3-ium CAS Name: 3-[(3-bromophenyl)methyl]-6-methyl-1,3-benzothiazol-3-ium IUPAC Name: 3-[(3-bromophenyl)methyl]-6-methyl-1,3-benzothiazol-3-ium Traditional Name: 3-(3-bromobenzyl)-6-methyl-1,3-benzothiazol-3-ium Formula: C15H13BrNS+ MolecularWeight: 319.23942

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