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

Systemtic Name: [2-methoxy-3-[oxidanyl(2-pyridin-1-ium-1-ylethoxy)phosphoryl]oxy-propyl] N-tridecylcarbamate Openeye Name: [3-[hydroxy(2-pyridin-1-ium-1-ylethoxy)phosphoryl]oxy-2-methoxy-propyl] N-tridecylcarbamate CAS Name: N-tridecylcarbamic acid [3-[hydroxy-[2-(1-pyridin-1-iumyl)ethoxy]phosphoryl]oxy-2-methoxypropyl] ester IUPAC Name: [3-[hydroxy(2-pyridin-1-ium-1-ylethoxy)phosphoryl]oxy-2-methoxypropyl] N-tridecylcarbamate Traditional Name: N-tridecylcarbamic acid [3-[hydroxy(2-pyridin-1-ium-1-ylethoxy)phosphoryl]oxy-2-methoxy-propyl] ester Formula: C25H46N2O7P+ MolecularWeight: 517.615701

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCNC(=O)OCC(COP(=O)(O)OCC[N+]1=CC=CC=C1)OC

Isomeric SMILES

CCCCCCCCCCCCCNC(=O)OCC(COP(=O)(O)OCC[N+]1=CC=CC=C1)OC

InChI

InChI=1S/C25H45N2O7P/c1-3-4-5-6-7-8-9-10-11-12-14-17-26-25(28)32-22-24(31-2)23-34-35(29,30)33-21-20-27-18-15-13-16-19-27/h13,15-16,18-19,24H,3-12,14,17,20-23H2,1-2H3,(H-,26,28,29,30)/p+1