3-ethyl-2-methyl-6,7,8,9-tetrahydrobenzo[g][1,3]benzothiazol-3-ium iodide

Systemtic Name: 3-ethyl-2-methyl-6,7,8,9-tetrahydrobenzo[g][1,3]benzothiazol-3-ium iodide Openeye Name: 3-ethyl-2-methyl-6,7,8,9-tetrahydrobenzo[g][1,3]benzothiazol-3-ium iodide CAS Name: 3-ethyl-2-methyl-6,7,8,9-tetrahydrobenzo[g][1,3]benzothiazol-3-ium iodide IUPAC Name: 3-ethyl-2-methyl-6,7,8,9-tetrahydrobenzo[g][1,3]benzothiazol-3-ium iodide Traditional Name: 3-ethyl-2-methyl-6,7,8,9-tetrahydrobenzo[g][1,3]benzothiazol-3-ium iodide Formula: C14H18INS MolecularWeight: 359.26889

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC2=C1C=CC3=C2CCCC3)C.[I-]

Isomeric SMILES

CC[N+]1=C(SC2=C1C=CC3=C2CCCC3)C.[I-]

InChI

InChI=1S/C14H18NS.HI/c1-3-15-10(2)16-14-12-7-5-4-6-11(12)8-9-13(14)15;/h8-9H,3-7H2,1-2H3;1H/q+1;/p-1