[2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-hexadecoxy-propyl] 2-pyridin-1-ium-1-ylethyl hydrogen phosphate

Systemtic Name: [2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-hexadecoxy-propyl] 2-pyridin-1-ium-1-ylethyl hydrogen phosphate Openeye Name: [2-(1,3-dioxoisoindolin-2-yl)-3-hexadecoxy-propyl] 2-pyridin-1-ium-1-ylethyl hydrogen phosphate CAS Name: [2-(1,3-dioxo-2-isoindolyl)-3-hexadecoxypropyl] 2-(1-pyridin-1-iumyl)ethyl hydrogen phosphate IUPAC Name: [2-(1,3-dioxoisoindol-2-yl)-3-hexadecoxypropyl] 2-pyridin-1-ium-1-ylethyl hydrogen phosphate Traditional Name: (3-cetyloxy-2-phthalimido-propyl) 2-pyridin-1-ium-1-ylethyl hydrogen phosphate Formula: C34H52N2O7P+ MolecularWeight: 631.759641

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(COP(=O)(O)OCC[N+]1=CC=CC=C1)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(COP(=O)(O)OCC[N+]1=CC=CC=C1)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C34H51N2O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-26-41-28-30(36-33(37)31-21-16-17-22-32(31)34(36)38)29-43-44(39,40)42-27-25-35-23-18-15-19-24-35/h15-19,21-24,30H,2-14,20,25-29H2,1H3/p+1