[2-acetyloxy-3-(octadecanoylamino)propyl] 4-pyridin-1-ium-1-ylbutanoate chloride

Systemtic Name: [2-acetyloxy-3-(octadecanoylamino)propyl] 4-pyridin-1-ium-1-ylbutanoate chloride Openeye Name: [2-acetoxy-3-(octadecanoylamino)propyl] 4-pyridin-1-ium-1-ylbutanoate chloride CAS Name: 4-(1-pyridin-1-iumyl)butanoic acid [2-acetyloxy-3-(1-oxooctadecylamino)propyl] ester chloride IUPAC Name: [2-acetyloxy-3-(octadecanoylamino)propyl] 4-pyridin-1-ium-1-ylbutanoate chloride Traditional Name: 4-pyridin-1-ium-1-ylbutyric acid (2-acetoxy-3-stearamido-propyl) ester chloride Formula: C32H55ClN2O5 MolecularWeight: 583.2425

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H54N2O5.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-22-31(36)33-27-30(39-29(2)35)28-38-32(37)23-21-26-34-24-19-17-20-25-34;/h17,19-20,24-25,30H,3-16,18,21-23,26-28H2,1-2H3;1H