(2-acetyloxy-3-octadecoxy-propoxy)-(2-pyrrolidin-1-ium-1-ylethyl)phosphinic acid

Systemtic Name: (2-acetyloxy-3-octadecoxy-propoxy)-(2-pyrrolidin-1-ium-1-ylethyl)phosphinic acid Openeye Name: (2-acetoxy-3-octadecoxy-propoxy)-(2-pyrrolidin-1-ium-1-ylethyl)phosphinic acid CAS Name: (2-acetyloxy-3-octadecoxypropoxy)-[2-(1-pyrrolidin-1-iumyl)ethyl]phosphinic acid IUPAC Name: (2-acetyloxy-3-octadecoxypropoxy)-(2-pyrrolidin-1-ium-1-ylethyl)phosphinic acid Traditional Name: (2-acetoxy-3-stearyloxy-propoxy)-(2-pyrrolidin-1-ium-1-ylethyl)phosphinic acid Formula: C29H59NO6P+ MolecularWeight: 548.755621

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(COP(=O)(CC[NH+]1CCCC1)O)OC(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(COP(=O)(CC[NH+]1CCCC1)O)OC(=O)C

InChI

InChI=1S/C29H58NO6P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-24-34-26-29(36-28(2)31)27-35-37(32,33)25-23-30-21-18-19-22-30/h29H,3-27H2,1-2H3,(H,32,33)/p+1