[2-oxidanyl-3-(2-oxidanylideneoctadecanoylamino)propyl] 16-pyridin-1-ium-1-ylhexadecanoate bromide

Systemtic Name: [2-oxidanyl-3-(2-oxidanylideneoctadecanoylamino)propyl] 16-pyridin-1-ium-1-ylhexadecanoate bromide Openeye Name: [2-hydroxy-3-(2-oxooctadecanoylamino)propyl] 16-pyridin-1-ium-1-ylhexadecanoate bromide CAS Name: 16-(1-pyridin-1-iumyl)hexadecanoic acid [3-(1,2-dioxooctadecylamino)-2-hydroxypropyl] ester bromide IUPAC Name: [2-hydroxy-3-(2-oxooctadecanoylamino)propyl] 16-pyridin-1-ium-1-ylhexadecanoate bromide Traditional Name: 16-pyridin-1-ium-1-ylpalmitic acid [2-hydroxy-3-(2-ketooctadecanoylamino)propyl] ester bromide Formula: C42H75BrN2O5 MolecularWeight: 767.9593

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(=O)C(=O)NCC(COC(=O)CCCCCCCCCCCCCCC[N+]1=CC=CC=C1)O.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCC(=O)C(=O)NCC(COC(=O)CCCCCCCCCCCCCCC[N+]1=CC=CC=C1)O.[Br-]

InChI

InChI=1S/C42H74N2O5.BrH/c1-2-3-4-5-6-7-8-9-11-14-17-20-23-27-32-40(46)42(48)43-37-39(45)38-49-41(47)33-28-24-21-18-15-12-10-13-16-19-22-25-29-34-44-35-30-26-31-36-44;/h26,30-31,35-36,39,45H,2-25,27-29,32-34,37-38H2,1H3;1H