[2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-octadecoxy-propyl] 2-pyridin-1-ium-1-ylethyl phosphate

Systemtic Name: [2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-octadecoxy-propyl] 2-pyridin-1-ium-1-ylethyl phosphate Openeye Name: [2-(1,3-dioxoisoindolin-2-yl)-3-octadecoxy-propyl] 2-pyridin-1-ium-1-ylethyl phosphate CAS Name: [2-(1,3-dioxo-2-isoindolyl)-3-octadecoxypropyl] 2-(1-pyridin-1-iumyl)ethyl phosphate IUPAC Name: [2-(1,3-dioxoisoindol-2-yl)-3-octadecoxypropyl] 2-pyridin-1-ium-1-ylethyl phosphate Traditional Name: (2-phthalimido-3-stearyloxy-propyl) 2-pyridin-1-ium-1-ylethyl phosphate Formula: C36H55N2O7P MolecularWeight: 658.804861

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+]1=CC=CC=C1)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+]1=CC=CC=C1)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C36H55N2O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-28-43-30-32(38-35(39)33-23-18-19-24-34(33)36(38)40)31-45-46(41,42)44-29-27-37-25-20-17-21-26-37/h17-21,23-26,32H,2-16,22,27-31H2,1H3