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

Systemtic Name: 6-chloranyl-3-(phenylmethyl)-1,3-benzothiazol-3-ium bromide Openeye Name: 3-benzyl-6-chloro-1,3-benzothiazol-3-ium bromide CAS Name: 6-chloro-3-(phenylmethyl)-1,3-benzothiazol-3-ium bromide IUPAC Name: 3-benzyl-6-chloro-1,3-benzothiazol-3-ium bromide Traditional Name: 3-benzyl-6-chloro-1,3-benzothiazol-3-ium bromide Formula: C14H11BrClNS MolecularWeight: 340.66584

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=CSC3=C2C=CC(=C3)Cl.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=CSC3=C2C=CC(=C3)Cl.[Br-]

InChI

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