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

Systemtic Name: [2-(2-heptadecyl-1,3-dioxolan-4-yl)-2-pyridin-1-ium-1-yl-ethyl] methyl hydrogen phosphate hydroxide Openeye Name: [2-(2-heptadecyl-1,3-dioxolan-4-yl)-2-pyridin-1-ium-1-yl-ethyl] methyl hydrogen phosphate hydroxide CAS Name: [2-(2-heptadecyl-1,3-dioxolan-4-yl)-2-(1-pyridin-1-iumyl)ethyl] methyl hydrogen phosphate hydroxide IUPAC Name: [2-(2-heptadecyl-1,3-dioxolan-4-yl)-2-pyridin-1-ium-1-ylethyl] methyl hydrogen phosphate hydroxide Traditional Name: [2-(2-heptadecyl-1,3-dioxolan-4-yl)-2-pyridin-1-ium-1-yl-ethyl] methyl hydrogen phosphate hydroxide Formula: C28H52NO7P MolecularWeight: 545.688741

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1OCC(O1)C(COP(=O)(O)OC)[N+]2=CC=CC=C2.[OH-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1OCC(O1)C(COP(=O)(O)OC)[N+]2=CC=CC=C2.[OH-]

InChI

InChI=1S/C28H50NO6P.H2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-28-33-25-27(35-28)26(24-34-36(30,31)32-2)29-22-19-17-20-23-29;/h17,19-20,22-23,26-28H,3-16,18,21,24-25H2,1-2H3;1H2