[3-(octadecylcarbamoyloxy)-2-phenylmethoxy-propyl] 2-pyridin-1-ium-1-ylethyl phosphate

Systemtic Name: [3-(octadecylcarbamoyloxy)-2-phenylmethoxy-propyl] 2-pyridin-1-ium-1-ylethyl phosphate Openeye Name: [2-benzyloxy-3-(octadecylcarbamoyloxy)propyl] 2-pyridin-1-ium-1-ylethyl phosphate CAS Name: [3-[(octadecylamino)-oxomethoxy]-2-phenylmethoxypropyl] 2-(1-pyridin-1-iumyl)ethyl phosphate IUPAC Name: [3-(octadecylcarbamoyloxy)-2-phenylmethoxypropyl] 2-pyridin-1-ium-1-ylethyl phosphate Traditional Name: [2-benzoxy-3-(stearylcarbamoyloxy)propyl] 2-pyridin-1-ium-1-ylethyl phosphate Formula: C36H59N2O7P MolecularWeight: 662.836621

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)OCC(COP(=O)([O-])OCC[N+]1=CC=CC=C1)OCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)OCC(COP(=O)([O-])OCC[N+]1=CC=CC=C1)OCC2=CC=CC=C2

InChI

InChI=1S/C36H59N2O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-26-37-36(39)43-32-35(42-31-34-24-19-17-20-25-34)33-45-46(40,41)44-30-29-38-27-22-18-23-28-38/h17-20,22-25,27-28,35H,2-16,21,26,29-33H2,1H3,(H-,37,39,40,41)