(2-methoxy-3-octadecoxy-propyl) [3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl] hydrogen phosphate

Systemtic Name: (2-methoxy-3-octadecoxy-propyl) [3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl] hydrogen phosphate Openeye Name: (2-methoxy-3-octadecoxy-propyl) [3-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl] hydrogen phosphate CAS Name: (2-methoxy-3-octadecoxypropyl) [3-[(5-methyl-3-thiazol-3-iumyl)methyl]phenyl] hydrogen phosphate IUPAC Name: (2-methoxy-3-octadecoxypropyl) [3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl] hydrogen phosphate Traditional Name: (2-methoxy-3-stearyloxy-propyl) [3-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl] hydrogen phosphate Formula: C33H57NO6PS+ MolecularWeight: 626.847541

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)OC1=CC=CC(=C1)C[N+]2=CSC(=C2)C)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)OC1=CC=CC(=C1)C[N+]2=CSC(=C2)C)OC

InChI

InChI=1S/C33H56NO6PS/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-38-27-33(37-3)28-39-41(35,36)40-32-22-20-21-31(24-32)26-34-25-30(2)42-29-34/h20-22,24-25,29,33H,4-19,23,26-28H2,1-3H3/p+1