ethyl 4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[bis(4-fluorophenyl)methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C20H23F2N2O2+ MolecularWeight: 361.405626

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H22F2N2O2/c1-2-26-20(25)24-13-11-23(12-14-24)19(15-3-7-17(21)8-4-15)16-5-9-18(22)10-6-16/h3-10,19H,2,11-14H2,1H3/p+1