[3-[oxidanyl(2-pyridin-1-ium-1-ylethoxy)phosphoryl]oxy-2-phenylmethoxy-propyl] N-octadecylcarbamate

Systemtic Name: [3-[oxidanyl(2-pyridin-1-ium-1-ylethoxy)phosphoryl]oxy-2-phenylmethoxy-propyl] N-octadecylcarbamate Openeye Name: [2-benzyloxy-3-[hydroxy(2-pyridin-1-ium-1-ylethoxy)phosphoryl]oxy-propyl] N-octadecylcarbamate CAS Name: N-octadecylcarbamic acid [3-[hydroxy-[2-(1-pyridin-1-iumyl)ethoxy]phosphoryl]oxy-2-phenylmethoxypropyl] ester IUPAC Name: [3-[hydroxy(2-pyridin-1-ium-1-ylethoxy)phosphoryl]oxy-2-phenylmethoxypropyl] N-octadecylcarbamate Traditional Name: N-stearylcarbamic acid [2-benzoxy-3-[hydroxy(2-pyridin-1-ium-1-ylethoxy)phosphoryl]oxy-propyl] ester Formula: C36H60N2O7P+ MolecularWeight: 663.844561

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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)/p+1