1-methyl-1-(phenylsulfanylmethyl)piperidin-1-ium iodide

Systemtic Name: 1-methyl-1-(phenylsulfanylmethyl)piperidin-1-ium iodide Openeye Name: 1-methyl-1-(phenylsulfanylmethyl)piperidin-1-ium iodide CAS Name: 1-methyl-1-[(phenylthio)methyl]piperidin-1-ium iodide IUPAC Name: 1-methyl-1-(phenylsulfanylmethyl)piperidin-1-ium iodide Traditional Name: 1-methyl-1-[(phenylthio)methyl]piperidin-1-ium iodide Formula: C13H20INS MolecularWeight: 349.27407

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1)CSC2=CC=CC=C2.[I-]

Isomeric SMILES

C[N+]1(CCCCC1)CSC2=CC=CC=C2.[I-]

InChI

InChI=1S/C13H20NS.HI/c1-14(10-6-3-7-11-14)12-15-13-8-4-2-5-9-13;/h2,4-5,8-9H,3,6-7,10-12H2,1H3;1H/q+1;/p-1