[2-acetyloxy-3-(4-pyridin-1-ium-1-ylbutanoyloxy)propyl] octadecanoate chloride

Systemtic Name: [2-acetyloxy-3-(4-pyridin-1-ium-1-ylbutanoyloxy)propyl] octadecanoate chloride Openeye Name: [2-acetoxy-3-(4-pyridin-1-ium-1-ylbutanoyloxy)propyl] octadecanoate chloride CAS Name: octadecanoic acid [2-acetyloxy-3-[1-oxo-4-(1-pyridin-1-iumyl)butoxy]propyl] ester chloride IUPAC Name: [2-acetyloxy-3-(4-pyridin-1-ium-1-ylbutanoyloxy)propyl] octadecanoate chloride Traditional Name: stearic acid [2-acetoxy-3-(4-pyridin-1-ium-1-ylbutanoyloxy)propyl] ester chloride Formula: C32H54ClNO6 MolecularWeight: 584.22726

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC[N+]1=CC=CC=C1)OC(=O)C.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC[N+]1=CC=CC=C1)OC(=O)C.[Cl-]

InChI

InChI=1S/C32H54NO6.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-22-31(35)37-27-30(39-29(2)34)28-38-32(36)23-21-26-33-24-19-17-20-25-33;/h17,19-20,24-25,30H,3-16,18,21-23,26-28H2,1-2H3;1H/q+1;/p-1