ethyl 1-[2-[(2-methoxy-3-octadecoxy-propoxy)-oxidanyl-phosphoryl]oxyethyl]pyridin-1-ium-3-carboxylate

Systemtic Name: ethyl 1-[2-[(2-methoxy-3-octadecoxy-propoxy)-oxidanyl-phosphoryl]oxyethyl]pyridin-1-ium-3-carboxylate Openeye Name: ethyl 1-[2-[hydroxy-(2-methoxy-3-octadecoxy-propoxy)phosphoryl]oxyethyl]pyridin-1-ium-3-carboxylate CAS Name: 1-[2-[hydroxy-(2-methoxy-3-octadecoxypropoxy)phosphoryl]oxyethyl]-3-pyridin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[hydroxy-(2-methoxy-3-octadecoxypropoxy)phosphoryl]oxyethyl]pyridin-1-ium-3-carboxylate Traditional Name: 1-[2-[hydroxy-(2-methoxy-3-stearyloxy-propoxy)phosphoryl]oxyethyl]pyridin-1-ium-3-carboxylic acid ethyl ester Formula: C32H59NO8P+ MolecularWeight: 616.786521

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H58NO8P/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-38-28-31(37-3)29-41-42(35,36)40-26-24-33-23-21-22-30(27-33)32(34)39-5-2/h21-23,27,31H,4-20,24-26,28-29H2,1-3H3/p+1