ethyl [2-octadecan-2-yloxy-1-[3-(1,3-thiazol-3-ium-3-yl)oxolan-2-yl]ethyl] hydrogen phosphate

Systemtic Name: ethyl [2-octadecan-2-yloxy-1-[3-(1,3-thiazol-3-ium-3-yl)oxolan-2-yl]ethyl] hydrogen phosphate Openeye Name: ethyl [2-(1-methylheptadecoxy)-1-(3-thiazol-3-ium-3-yltetrahydrofuran-2-yl)ethyl] hydrogen phosphate CAS Name: ethyl [2-octadecan-2-yloxy-1-[3-(3-thiazol-3-iumyl)-2-oxolanyl]ethyl] hydrogen phosphate IUPAC Name: ethyl [2-octadecan-2-yloxy-1-[3-(1,3-thiazol-3-ium-3-yl)oxolan-2-yl]ethyl] hydrogen phosphate Traditional Name: ethyl [2-(1-methylheptadecoxy)-1-(3-thiazol-3-ium-3-yltetrahydrofuran-2-yl)ethyl] hydrogen phosphate Formula: C29H55NO6PS+ MolecularWeight: 576.788861

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C)OCC(C1C(CCO1)[N+]2=CSC=C2)OP(=O)(O)OCC

Isomeric SMILES

CCCCCCCCCCCCCCCCC(C)OCC(C1C(CCO1)[N+]2=CSC=C2)OP(=O)(O)OCC

InChI

InChI=1S/C29H54NO6PS/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26(3)34-24-28(36-37(31,32)35-5-2)29-27(20-22-33-29)30-21-23-38-25-30/h21,23,25-29H,4-20,22,24H2,1-3H3/p+1