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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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