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

Systemtic Name: methyl 1-[2-[(2-methoxy-3-octadecoxy-propoxy)-oxidanyl-phosphoryl]oxyethyl]pyridin-1-ium-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C31H57NO8P+ MolecularWeight: 602.759941

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H56NO8P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-38-27-30(36-2)28-40-41(34,35)39-25-23-32-22-20-21-29(26-32)31(33)37-3/h20-22,26,30H,4-19,23-25,27-28H2,1-3H3/p+1