[2-(2-heptadecyl-1,3-dioxolan-4-yl)-2-(1,3-thiazol-3-ium-3-yl)ethyl] methyl hydrogen phosphate

Systemtic Name: [2-(2-heptadecyl-1,3-dioxolan-4-yl)-2-(1,3-thiazol-3-ium-3-yl)ethyl] methyl hydrogen phosphate Openeye Name: [2-(2-heptadecyl-1,3-dioxolan-4-yl)-2-thiazol-3-ium-3-yl-ethyl] methyl hydrogen phosphate CAS Name: [2-(2-heptadecyl-1,3-dioxolan-4-yl)-2-(3-thiazol-3-iumyl)ethyl] methyl hydrogen phosphate IUPAC Name: [2-(2-heptadecyl-1,3-dioxolan-4-yl)-2-(1,3-thiazol-3-ium-3-yl)ethyl] methyl hydrogen phosphate Traditional Name: [2-(2-heptadecyl-1,3-dioxolan-4-yl)-2-thiazol-3-ium-3-yl-ethyl] methyl hydrogen phosphate Formula: C26H49NO6PS+ MolecularWeight: 534.709121

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1OCC(O1)C(COP(=O)(O)OC)[N+]2=CSC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1OCC(O1)C(COP(=O)(O)OC)[N+]2=CSC=C2

InChI

InChI=1S/C26H48NO6PS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26-31-22-25(33-26)24(27-19-20-35-23-27)21-32-34(28,29)30-2/h19-20,23-26H,3-18,21-22H2,1-2H3/p+1