3-phenethyl-1,3-benzothiazol-3-ium iodide

Systemtic Name: 3-phenethyl-1,3-benzothiazol-3-ium iodide Openeye Name: 3-phenethyl-1,3-benzothiazol-3-ium iodide CAS Name: 3-phenethyl-1,3-benzothiazol-3-ium iodide IUPAC Name: 3-phenethyl-1,3-benzothiazol-3-ium iodide Traditional Name: 3-phenethyl-1,3-benzothiazol-3-ium iodide Formula: C15H14INS MolecularWeight: 367.24783

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC[N+]2=CSC3=CC=CC=C32.[I-]

Isomeric SMILES

C1=CC=C(C=C1)CC[N+]2=CSC3=CC=CC=C32.[I-]

InChI

InChI=1S/C15H14NS.HI/c1-2-6-13(7-3-1)10-11-16-12-17-15-9-5-4-8-14(15)16;/h1-9,12H,10-11H2;1H/q+1;/p-1