3-(2-methylpropyl)-1,3-benzothiazol-3-ium iodide

Systemtic Name: 3-(2-methylpropyl)-1,3-benzothiazol-3-ium iodide Openeye Name: 3-isobutyl-1,3-benzothiazol-3-ium iodide CAS Name: 3-(2-methylpropyl)-1,3-benzothiazol-3-ium iodide IUPAC Name: 3-(2-methylpropyl)-1,3-benzothiazol-3-ium iodide Traditional Name: 3-isobutyl-1,3-benzothiazol-3-ium iodide Formula: C11H14INS MolecularWeight: 319.20503

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[N+]1=CSC2=CC=CC=C21.[I-]

Isomeric SMILES

CC(C)C[N+]1=CSC2=CC=CC=C21.[I-]

InChI

InChI=1S/C11H14NS.HI/c1-9(2)7-12-8-13-11-6-4-3-5-10(11)12;/h3-6,8-9H,7H2,1-2H3;1H/q+1;/p-1