1-[methylsulfanyl-(4-phenoxyphenyl)methylidene]piperidin-1-ium iodide

Systemtic Name: 1-[methylsulfanyl-(4-phenoxyphenyl)methylidene]piperidin-1-ium iodide Openeye Name: 1-[methylsulfanyl-(4-phenoxyphenyl)methylene]piperidin-1-ium iodide CAS Name: 1-[(methylthio)-(4-phenoxyphenyl)methylidene]piperidin-1-ium iodide IUPAC Name: 1-[methylsulfanyl-(4-phenoxyphenyl)methylidene]piperidin-1-ium iodide Traditional Name: 1-[(methylthio)-(4-phenoxyphenyl)methylene]piperidin-1-ium iodide Formula: C19H22INOS MolecularWeight: 439.35355

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=[N+]1CCCCC1)C2=CC=C(C=C2)OC3=CC=CC=C3.[I-]

Isomeric SMILES

CSC(=[N+]1CCCCC1)C2=CC=C(C=C2)OC3=CC=CC=C3.[I-]

InChI

InChI=1S/C19H22NOS.HI/c1-22-19(20-14-6-3-7-15-20)16-10-12-18(13-11-16)21-17-8-4-2-5-9-17;/h2,4-5,8-13H,3,6-7,14-15H2,1H3;1H/q+1;/p-1