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

Systemtic Name: 3-methyl-2-(phenylmethyl)-1,3-benzothiazol-3-ium iodide Openeye Name: 2-benzyl-3-methyl-1,3-benzothiazol-3-ium iodide CAS Name: 3-methyl-2-(phenylmethyl)-1,3-benzothiazol-3-ium iodide IUPAC Name: 2-benzyl-3-methyl-1,3-benzothiazol-3-ium iodide Traditional Name: 2-benzyl-3-methyl-1,3-benzothiazol-3-ium iodide Formula: C15H14INS MolecularWeight: 367.24783

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(SC2=CC=CC=C21)CC3=CC=CC=C3.[I-]

Isomeric SMILES

C[N+]1=C(SC2=CC=CC=C21)CC3=CC=CC=C3.[I-]

InChI

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