1-(3-hexadecylsulfanyl-2-methoxy-propyl)-1-methyl-pyrrolidin-1-ium iodide

Systemtic Name: 1-(3-hexadecylsulfanyl-2-methoxy-propyl)-1-methyl-pyrrolidin-1-ium iodide Openeye Name: 1-(3-hexadecylsulfanyl-2-methoxy-propyl)-1-methyl-pyrrolidin-1-ium iodide CAS Name: 1-[3-(hexadecylthio)-2-methoxypropyl]-1-methylpyrrolidin-1-ium iodide IUPAC Name: 1-(3-hexadecylsulfanyl-2-methoxypropyl)-1-methylpyrrolidin-1-ium iodide Traditional Name: 1-[3-(cetylthio)-2-methoxy-propyl]-1-methyl-pyrrolidin-1-ium iodide Formula: C25H52INOS MolecularWeight: 541.65595

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSCC(C[N+]1(CCCC1)C)OC.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCSCC(C[N+]1(CCCC1)C)OC.[I-]

InChI

InChI=1S/C25H52NOS.HI/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-28-24-25(27-3)23-26(2)20-17-18-21-26;/h25H,4-24H2,1-3H3;1H/q+1;/p-1