[2-(methylcarbamoyloxy)-3-octadecoxy-propyl] 2-pyridin-1-ium-1-ylethyl phosphate

Systemtic Name: [2-(methylcarbamoyloxy)-3-octadecoxy-propyl] 2-pyridin-1-ium-1-ylethyl phosphate Openeye Name: [2-(methylcarbamoyloxy)-3-octadecoxy-propyl] 2-pyridin-1-ium-1-ylethyl phosphate CAS Name: [2-(methylcarbamoyloxy)-3-octadecoxypropyl] 2-(1-pyridin-1-iumyl)ethyl phosphate IUPAC Name: [2-(methylcarbamoyloxy)-3-octadecoxypropyl] 2-pyridin-1-ium-1-ylethyl phosphate Traditional Name: [2-(methylcarbamoyloxy)-3-stearyloxy-propyl] 2-pyridin-1-ium-1-ylethyl phosphate Formula: C30H55N2O7P MolecularWeight: 586.740661

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+]1=CC=CC=C1)OC(=O)NC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+]1=CC=CC=C1)OC(=O)NC

InChI

InChI=1S/C30H55N2O7P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-25-36-27-29(39-30(33)31-2)28-38-40(34,35)37-26-24-32-22-19-18-20-23-32/h18-20,22-23,29H,3-17,21,24-28H2,1-2H3,(H-,31,33,34,35)