2-methyl-3-propyl-1,3-benzothiazol-3-ium iodide

Systemtic Name: 2-methyl-3-propyl-1,3-benzothiazol-3-ium iodide Openeye Name: 2-methyl-3-propyl-1,3-benzothiazol-3-ium iodide CAS Name: 2-methyl-3-propyl-1,3-benzothiazol-3-ium iodide IUPAC Name: 2-methyl-3-propyl-1,3-benzothiazol-3-ium iodide Traditional Name: 2-methyl-3-propyl-1,3-benzothiazol-3-ium iodide Formula: C11H14INS MolecularWeight: 319.20503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14NS.HI/c1-3-8-12-9(2)13-11-7-5-4-6-10(11)12;/h4-7H,3,8H2,1-2H3;1H/q+1;/p-1