1-(2-methoxy-3-octadecylsulfanyl-propyl)-3-methyl-imidazol-3-ium

Systemtic Name: 1-(2-methoxy-3-octadecylsulfanyl-propyl)-3-methyl-imidazol-3-ium Openeye Name: 1-(2-methoxy-3-octadecylsulfanyl-propyl)-3-methyl-imidazol-3-ium CAS Name: 1-[2-methoxy-3-(octadecylthio)propyl]-3-methylimidazol-3-ium IUPAC Name: 1-(2-methoxy-3-octadecylsulfanylpropyl)-3-methylimidazol-3-ium Traditional Name: 1-[2-methoxy-3-(stearylthio)propyl]-3-methyl-imidazol-3-ium Formula: C26H51N2OS+ MolecularWeight: 439.76094

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSCC(CN1C=C[N+](=C1)C)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCSCC(CN1C=C[N+](=C1)C)OC

InChI

InChI=1S/C26H51N2OS/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-30-24-26(29-3)23-28-21-20-27(2)25-28/h20-21,25-26H,4-19,22-24H2,1-3H3/q+1