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

Systemtic Name: 2-[4-[bis(4-fluorophenyl)methoxy]-1-ethyl-piperidin-1-ium-1-yl]propanoate hydrochloride Openeye Name: 2-[4-[bis(4-fluorophenyl)methoxy]-1-ethyl-piperidin-1-ium-1-yl]propanoate hydrochloride CAS Name: 2-[4-[bis(4-fluorophenyl)methoxy]-1-ethyl-1-piperidin-1-iumyl]propanoate hydrochloride IUPAC Name: 2-[4-[bis(4-fluorophenyl)methoxy]-1-ethylpiperidin-1-ium-1-yl]propanoate hydrochloride Traditional Name: 2-[4-[bis(4-fluorophenyl)methoxy]-1-ethyl-piperidin-1-ium-1-yl]propionate hydrochloride Formula: C23H28ClF2NO3 MolecularWeight: 439.923126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27F2NO3.ClH/c1-3-26(16(2)23(27)28)14-12-21(13-15-26)29-22(17-4-8-19(24)9-5-17)18-6-10-20(25)11-7-18;/h4-11,16,21-22H,3,12-15H2,1-2H3;1H