1-(2-ethoxy-3-hexadecylsulfanyl-propyl)-1-methyl-pyrrol-1-ium bromide

Systemtic Name: 1-(2-ethoxy-3-hexadecylsulfanyl-propyl)-1-methyl-pyrrol-1-ium bromide Openeye Name: 1-(2-ethoxy-3-hexadecylsulfanyl-propyl)-1-methyl-pyrrol-1-ium bromide CAS Name: 1-[2-ethoxy-3-(hexadecylthio)propyl]-1-methylpyrrol-1-ium bromide IUPAC Name: 1-(2-ethoxy-3-hexadecylsulfanylpropyl)-1-methylpyrrol-1-ium bromide Traditional Name: 1-[3-(cetylthio)-2-ethoxy-propyl]-1-methyl-pyrrol-1-ium bromide Formula: C26H50BrNOS MolecularWeight: 504.6503

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSCC(C[N+]1(C=CC=C1)C)OCC.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCSCC(C[N+]1(C=CC=C1)C)OCC.[Br-]

InChI

InChI=1S/C26H50NOS.BrH/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-20-23-29-25-26(28-5-2)24-27(3)21-18-19-22-27;/h18-19,21-22,26H,4-17,20,23-25H2,1-3H3;1H/q+1;/p-1