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

Systemtic Name: [1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl] methyl carbonate Openeye Name: [1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl] methyl carbonate CAS Name: carbonic 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 carbonate Traditional Name: carbonic acid [1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl] methyl ester Formula: C22H25N2O4+ MolecularWeight: 381.4449

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N2O4/c1-26-22(25)28-24(13-2-3-14-24)15-4-16-27-21-11-9-20(10-12-21)19-7-5-18(17-23)6-8-19/h5-12H,2-4,13-16H2,1H3/q+1