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

Systemtic Name: methyl [2-(2-pentadecyl-1,3-dioxolan-4-yl)-2-(1,3-thiazol-3-ium-3-yl)ethyl] hydrogen phosphate Openeye Name: methyl [2-(2-pentadecyl-1,3-dioxolan-4-yl)-2-thiazol-3-ium-3-yl-ethyl] hydrogen phosphate CAS Name: methyl [2-(2-pentadecyl-1,3-dioxolan-4-yl)-2-(3-thiazol-3-iumyl)ethyl] hydrogen phosphate IUPAC Name: methyl [2-(2-pentadecyl-1,3-dioxolan-4-yl)-2-(1,3-thiazol-3-ium-3-yl)ethyl] hydrogen phosphate Traditional Name: methyl [2-(2-pentadecyl-1,3-dioxolan-4-yl)-2-thiazol-3-ium-3-yl-ethyl] hydrogen phosphate Formula: C24H45NO6PS+ MolecularWeight: 506.655961

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1OCC(O1)C(COP(=O)(O)OC)[N+]2=CSC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCC1OCC(O1)C(COP(=O)(O)OC)[N+]2=CSC=C2

InChI

InChI=1S/C24H44NO6PS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24-29-20-23(31-24)22(25-17-18-33-21-25)19-30-32(26,27)28-2/h17-18,21-24H,3-16,19-20H2,1-2H3/p+1