1-(2-ethoxy-3-octadecoxy-propyl)-1-methyl-piperidin-1-ium-4-ol bromide

Systemtic Name: 1-(2-ethoxy-3-octadecoxy-propyl)-1-methyl-piperidin-1-ium-4-ol bromide Openeye Name: 1-(2-ethoxy-3-octadecoxy-propyl)-1-methyl-piperidin-1-ium-4-ol bromide CAS Name: 1-(2-ethoxy-3-octadecoxypropyl)-1-methyl-4-piperidin-1-iumol bromide IUPAC Name: 1-(2-ethoxy-3-octadecoxypropyl)-1-methylpiperidin-1-ium-4-ol bromide Traditional Name: 1-(2-ethoxy-3-stearyloxy-propyl)-1-methyl-piperidin-1-ium-4-ol bromide Formula: C29H60BrNO3 MolecularWeight: 550.6956

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(C[N+]1(CCC(CC1)O)C)OCC.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(C[N+]1(CCC(CC1)O)C)OCC.[Br-]

InChI

InChI=1S/C29H60NO3.BrH/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-32-27-29(33-5-2)26-30(3)23-21-28(31)22-24-30;/h28-29,31H,4-27H2,1-3H3;1H/q+1;/p-1