[2-(hexadecoxymethyl)-4-oxidanylidene-pentyl] 3-pyrrolidin-1-ium-1-ylpropyl hydrogen phosphite

Systemtic Name: [2-(hexadecoxymethyl)-4-oxidanylidene-pentyl] 3-pyrrolidin-1-ium-1-ylpropyl hydrogen phosphite Openeye Name: [2-(hexadecoxymethyl)-4-oxo-pentyl] 3-pyrrolidin-1-ium-1-ylpropyl hydrogen phosphite CAS Name: [2-(hexadecoxymethyl)-4-oxopentyl] 3-(1-pyrrolidin-1-iumyl)propyl hydrogen phosphite IUPAC Name: [2-(hexadecoxymethyl)-4-oxopentyl] 3-pyrrolidin-1-ium-1-ylpropyl hydrogen phosphite Traditional Name: [2-(cetyloxymethyl)-4-keto-pentyl] 3-pyrrolidin-1-ium-1-ylpropyl hydrogen phosphite Formula: C29H59NO5P+ MolecularWeight: 532.756221

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(CC(=O)C)COP(O)OCCC[NH+]1CCCC1

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(CC(=O)C)COP(O)OCCC[NH+]1CCCC1

InChI

InChI=1S/C29H58NO5P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-23-33-26-29(25-28(2)31)27-35-36(32)34-24-19-22-30-20-16-17-21-30/h29,32H,3-27H2,1-2H3/p+1