3-dodecan-6-yl-1,3-benzothiazol-3-ium iodide

Systemtic Name: 3-dodecan-6-yl-1,3-benzothiazol-3-ium iodide Openeye Name: 3-(1-pentylheptyl)-1,3-benzothiazol-3-ium iodide CAS Name: 3-dodecan-6-yl-1,3-benzothiazol-3-ium iodide IUPAC Name: 3-dodecan-6-yl-1,3-benzothiazol-3-ium iodide Traditional Name: 3-(1-amylheptyl)-1,3-benzothiazol-3-ium iodide Formula: C19H30INS MolecularWeight: 431.41767

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30NS.HI/c1-3-5-7-9-13-17(12-8-6-4-2)20-16-21-19-15-11-10-14-18(19)20;/h10-11,14-17H,3-9,12-13H2,1-2H3;1H/q+1;/p-1