tris(2-pyridin-1-ium-1-ylethyl) phosphate

Systemtic Name: tris(2-pyridin-1-ium-1-ylethyl) phosphate Openeye Name: tris(2-pyridin-1-ium-1-ylethyl) phosphate CAS Name: phosphoric acid tris[2-(1-pyridin-1-iumyl)ethyl] ester IUPAC Name: tris(2-pyridin-1-ium-1-ylethyl) phosphate Traditional Name: phosphoric acid tris(2-pyridin-1-ium-1-ylethyl) ester Formula: C21H27N3O4P+3 MolecularWeight: 416.430541

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)CCOP(=O)(OCC[N+]2=CC=CC=C2)OCC[N+]3=CC=CC=C3

Isomeric SMILES

C1=CC=[N+](C=C1)CCOP(=O)(OCC[N+]2=CC=CC=C2)OCC[N+]3=CC=CC=C3

InChI

InChI=1S/C21H27N3O4P/c25-29(26-19-16-22-10-4-1-5-11-22,27-20-17-23-12-6-2-7-13-23)28-21-18-24-14-8-3-9-15-24/h1-15H,16-21H2/q+3