[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl] methyl sulfate

Systemtic Name: [1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl] methyl sulfate Openeye Name: [1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl] methyl sulfate CAS Name: sulfuric acid [1-[3-[4-(4-cyanophenyl)phenoxy]propyl]-1-pyrrolidin-1-iumyl] methyl ester IUPAC Name: [1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl] methyl sulfate Traditional Name: sulfuric acid [1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl] methyl ester Formula: C21H25N2O5S+ MolecularWeight: 417.4986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N2O5S/c1-26-29(24,25)28-23(13-2-3-14-23)15-4-16-27-21-11-9-20(10-12-21)19-7-5-18(17-22)6-8-19/h5-12H,2-4,13-16H2,1H3/q+1