2-[4-[bis(4-fluorophenyl)methoxy]-1-ethyl-piperidin-1-ium-1-yl]pentanoate

Systemtic Name: 2-[4-[bis(4-fluorophenyl)methoxy]-1-ethyl-piperidin-1-ium-1-yl]pentanoate Openeye Name: 2-[4-[bis(4-fluorophenyl)methoxy]-1-ethyl-piperidin-1-ium-1-yl]pentanoate CAS Name: 2-[4-[bis(4-fluorophenyl)methoxy]-1-ethyl-1-piperidin-1-iumyl]pentanoate IUPAC Name: 2-[4-[bis(4-fluorophenyl)methoxy]-1-ethylpiperidin-1-ium-1-yl]pentanoate Traditional Name: 2-[4-[bis(4-fluorophenyl)methoxy]-1-ethyl-piperidin-1-ium-1-yl]valerate Formula: C25H31F2NO3 MolecularWeight: 431.515346

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)[O-])[N+]1(CCC(CC1)OC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)CC

Isomeric SMILES

CCCC(C(=O)[O-])[N+]1(CCC(CC1)OC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)CC

InChI

InChI=1S/C25H31F2NO3/c1-3-5-23(25(29)30)28(4-2)16-14-22(15-17-28)31-24(18-6-10-20(26)11-7-18)19-8-12-21(27)13-9-19/h6-13,22-24H,3-5,14-17H2,1-2H3