(2-heptadecyl-1,3-dioxolan-4-yl)methyl 2-pyridin-1-ium-1-ylethyl hydrogen phosphate

Systemtic Name: (2-heptadecyl-1,3-dioxolan-4-yl)methyl 2-pyridin-1-ium-1-ylethyl hydrogen phosphate Openeye Name: (2-heptadecyl-1,3-dioxolan-4-yl)methyl 2-pyridin-1-ium-1-ylethyl hydrogen phosphate CAS Name: (2-heptadecyl-1,3-dioxolan-4-yl)methyl 2-(1-pyridin-1-iumyl)ethyl hydrogen phosphate IUPAC Name: (2-heptadecyl-1,3-dioxolan-4-yl)methyl 2-pyridin-1-ium-1-ylethyl hydrogen phosphate Traditional Name: (2-heptadecyl-1,3-dioxolan-4-yl)methyl 2-pyridin-1-ium-1-ylethyl hydrogen phosphate Formula: C28H51NO6P+ MolecularWeight: 528.681401

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H50NO6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-28-32-25-27(35-28)26-34-36(30,31)33-24-23-29-21-18-16-19-22-29/h16,18-19,21-22,27-28H,2-15,17,20,23-26H2,1H3/p+1