(2-methoxy-3-octadecoxy-propyl) 2-(1-methylpiperidin-1-ium-1-yl)ethyl hydrogen phosphate

Systemtic Name: (2-methoxy-3-octadecoxy-propyl) 2-(1-methylpiperidin-1-ium-1-yl)ethyl hydrogen phosphate Openeye Name: (2-methoxy-3-octadecoxy-propyl) 2-(1-methylpiperidin-1-ium-1-yl)ethyl hydrogen phosphate CAS Name: (2-methoxy-3-octadecoxypropyl) 2-(1-methyl-1-piperidin-1-iumyl)ethyl hydrogen phosphate IUPAC Name: (2-methoxy-3-octadecoxypropyl) 2-(1-methylpiperidin-1-ium-1-yl)ethyl hydrogen phosphate Traditional Name: (2-methoxy-3-stearyloxy-propyl) 2-(1-methylpiperidin-1-ium-1-yl)ethyl hydrogen phosphate Formula: C30H63NO6P+ MolecularWeight: 564.798081

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)OCC[N+]1(CCCCC1)C)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)OCC[N+]1(CCCCC1)C)OC

InChI

InChI=1S/C30H62NO6P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-26-35-28-30(34-3)29-37-38(32,33)36-27-25-31(2)23-20-19-21-24-31/h30H,4-29H2,1-3H3/p+1