1-(1-methylpyrrolidin-1-ium-1-yl)-3-octadecoxy-propan-2-ol iodide

Systemtic Name: 1-(1-methylpyrrolidin-1-ium-1-yl)-3-octadecoxy-propan-2-ol iodide Openeye Name: 1-(1-methylpyrrolidin-1-ium-1-yl)-3-octadecoxy-propan-2-ol iodide CAS Name: 1-(1-methyl-1-pyrrolidin-1-iumyl)-3-octadecoxy-2-propanol iodide IUPAC Name: 1-(1-methylpyrrolidin-1-ium-1-yl)-3-octadecoxypropan-2-ol iodide Traditional Name: 1-(1-methylpyrrolidin-1-ium-1-yl)-3-stearyloxy-propan-2-ol iodide Formula: C26H54INO2 MolecularWeight: 539.61693

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(C[N+]1(CCCC1)C)O.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(C[N+]1(CCCC1)C)O.[I-]

InChI

InChI=1S/C26H54NO2.HI/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-29-25-26(28)24-27(2)21-18-19-22-27;/h26,28H,3-25H2,1-2H3;1H/q+1;/p-1