(3-hexadecoxy-2-methoxy-propyl) [3-[(3-methylimidazol-3-ium-1-yl)methyl]phenyl] hydrogen phosphate

Systemtic Name: (3-hexadecoxy-2-methoxy-propyl) [3-[(3-methylimidazol-3-ium-1-yl)methyl]phenyl] hydrogen phosphate Openeye Name: (3-hexadecoxy-2-methoxy-propyl) [3-[(3-methylimidazol-3-ium-1-yl)methyl]phenyl] hydrogen phosphate CAS Name: (3-hexadecoxy-2-methoxypropyl) [3-[(3-methyl-1-imidazol-3-iumyl)methyl]phenyl] hydrogen phosphate IUPAC Name: (3-hexadecoxy-2-methoxypropyl) [3-[(3-methylimidazol-3-ium-1-yl)methyl]phenyl] hydrogen phosphate Traditional Name: (3-cetyloxy-2-methoxy-propyl) [3-[(3-methylimidazol-3-ium-1-yl)methyl]phenyl] hydrogen phosphate Formula: C31H54N2O6P+ MolecularWeight: 581.744021

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(COP(=O)(O)OC1=CC=CC(=C1)CN2C=C[N+](=C2)C)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(COP(=O)(O)OC1=CC=CC(=C1)CN2C=C[N+](=C2)C)OC

InChI

InChI=1S/C31H53N2O6P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-37-26-31(36-3)27-38-40(34,35)39-30-20-18-19-29(24-30)25-33-22-21-32(2)28-33/h18-22,24,28,31H,4-17,23,25-27H2,1-3H3/p+1