1-(1H-indol-3-yl)-2-methylsulfanyl-2-piperidin-1-ium-1-ylidene-ethanone iodide

Systemtic Name: 1-(1H-indol-3-yl)-2-methylsulfanyl-2-piperidin-1-ium-1-ylidene-ethanone iodide Openeye Name: 1-(1H-indol-3-yl)-2-methylsulfanyl-2-piperidin-1-ium-1-ylidene-ethanone iodide CAS Name: 1-(1H-indol-3-yl)-2-(methylthio)-2-(1-piperidin-1-iumylidene)ethanone iodide IUPAC Name: 1-(1H-indol-3-yl)-2-methylsulfanyl-2-piperidin-1-ium-1-ylideneethanone iodide Traditional Name: 1-(1H-indol-3-yl)-2-(methylthio)-2-piperidin-1-ium-1-ylidene-ethanone iodide Formula: C16H19IN2OS MolecularWeight: 414.30433

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2OS.HI/c1-20-16(18-9-5-2-6-10-18)15(19)13-11-17-14-8-4-3-7-12(13)14;/h3-4,7-8,11H,2,5-6,9-10H2,1H3;1H