3-[methylsulfanyl(piperidin-1-ium-1-ylidene)methyl]-1H-indole iodide

Systemtic Name: 3-[methylsulfanyl(piperidin-1-ium-1-ylidene)methyl]-1H-indole iodide Openeye Name: 3-[methylsulfanyl(piperidin-1-ium-1-ylidene)methyl]-1H-indole iodide CAS Name: 3-[(methylthio)-(1-piperidin-1-iumylidene)methyl]-1H-indole iodide IUPAC Name: 3-[methylsulfanyl(piperidin-1-ium-1-ylidene)methyl]-1H-indole iodide Traditional Name: 3-[(methylthio)-piperidin-1-ium-1-ylidene-methyl]-1H-indole iodide Formula: C15H19IN2S MolecularWeight: 386.29423

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC(=[N+]1CCCCC1)C2=CNC3=CC=CC=C32.[I-]

Isomeric SMILES

CSC(=[N+]1CCCCC1)C2=CNC3=CC=CC=C32.[I-]

InChI

InChI=1S/C15H18N2S.HI/c1-18-15(17-9-5-2-6-10-17)13-11-16-14-8-4-3-7-12(13)14;/h3-4,7-8,11H,2,5-6,9-10H2,1H3;1H