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

Systemtic Name: 1-(3-hexadecylsulfanyl-2-methoxy-propyl)-1-methyl-pyrrolidin-1-ium Openeye Name: 1-(3-hexadecylsulfanyl-2-methoxy-propyl)-1-methyl-pyrrolidin-1-ium CAS Name: 1-[3-(hexadecylthio)-2-methoxypropyl]-1-methylpyrrolidin-1-ium IUPAC Name: 1-(3-hexadecylsulfanyl-2-methoxypropyl)-1-methylpyrrolidin-1-ium Traditional Name: 1-[3-(cetylthio)-2-methoxy-propyl]-1-methyl-pyrrolidin-1-ium Formula: C25H52NOS+ MolecularWeight: 414.75148

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSCC(C[N+]1(CCCC1)C)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCSCC(C[N+]1(CCCC1)C)OC

InChI

InChI=1S/C25H52NOS/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/q+1