[(2R)-2-acetamido-3-octadecoxy-propyl] 2-(3-methylimidazol-3-ium-1-yl)ethyl hydrogen phosphate

Systemtic Name: [(2R)-2-acetamido-3-octadecoxy-propyl] 2-(3-methylimidazol-3-ium-1-yl)ethyl hydrogen phosphate Openeye Name: [(2R)-2-acetamido-3-octadecoxy-propyl] 2-(3-methylimidazol-3-ium-1-yl)ethyl hydrogen phosphate CAS Name: [(2R)-2-acetamido-3-octadecoxypropyl] 2-(3-methyl-1-imidazol-3-iumyl)ethyl hydrogen phosphate IUPAC Name: [(2R)-2-acetamido-3-octadecoxypropyl] 2-(3-methylimidazol-3-ium-1-yl)ethyl hydrogen phosphate Traditional Name: [(2R)-2-acetamido-3-stearyloxy-propyl] 2-(3-methylimidazol-3-ium-1-yl)ethyl hydrogen phosphate Formula: C29H57N3O6P+ MolecularWeight: 574.753141

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)OCCN1C=C[N+](=C1)C)NC(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OCCN1C=C[N+](=C1)C)NC(=O)C

InChI

InChI=1S/C29H56N3O6P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-36-25-29(30-28(2)33)26-38-39(34,35)37-24-22-32-21-20-31(3)27-32/h20-21,27,29H,4-19,22-26H2,1-3H3,(H-,30,33,34,35)/p+1/t29-/m1/s1