[3-hexadecoxy-2-(2-methylprop-2-enoxy)propyl] [3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate

Systemtic Name: [3-hexadecoxy-2-(2-methylprop-2-enoxy)propyl] [3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate Openeye Name: [3-hexadecoxy-2-(2-methylallyloxy)propyl] [3-(thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate CAS Name: [3-hexadecoxy-2-(2-methylprop-2-enoxy)propyl] [3-(3-thiazol-3-iumylmethyl)phenyl] hydrogen phosphate IUPAC Name: [3-hexadecoxy-2-(2-methylprop-2-enoxy)propyl] [3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate Traditional Name: [3-cetyloxy-2-(2-methylallyloxy)propyl] [3-(thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate Formula: C33H55NO6PS+ MolecularWeight: 624.831661

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H54NO6PS/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-37-27-33(38-26-30(2)3)28-39-41(35,36)40-32-20-18-19-31(24-32)25-34-21-23-42-29-34/h18-21,23-24,29,33H,2,4-17,22,25-28H2,1,3H3/p+1