[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl] diethyl phosphate

Systemtic Name: [1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl] diethyl phosphate Openeye Name: [1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl] diethyl phosphate CAS Name: phosphoric acid [1-[3-[4-(4-cyanophenyl)phenoxy]propyl]-1-pyrrolidin-1-iumyl] diethyl ester IUPAC Name: [1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl] diethyl phosphate Traditional Name: phosphoric acid [1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl] diethyl ester Formula: C24H32N2O5P+ MolecularWeight: 459.495041

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(OCC)O[N+]1(CCCC1)CCCOC2=CC=C(C=C2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCOP(=O)(OCC)O[N+]1(CCCC1)CCCOC2=CC=C(C=C2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C24H32N2O5P/c1-3-29-32(27,30-4-2)31-26(16-5-6-17-26)18-7-19-28-24-14-12-23(13-15-24)22-10-8-21(20-25)9-11-22/h8-15H,3-7,16-19H2,1-2H3/q+1