ethyl 4-[(2R)-1-(4-fluorophenyl)propan-2-yl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(2R)-1-(4-fluorophenyl)propan-2-yl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(1R)-2-(4-fluorophenyl)-1-methyl-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(2R)-1-(4-fluorophenyl)propan-2-yl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2R)-1-(4-fluorophenyl)propan-2-yl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(1R)-2-(4-fluorophenyl)-1-methyl-ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C16H24FN2O2+ MolecularWeight: 295.372363

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)C(C)CC2=CC=C(C=C2)F

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)[C@H](C)CC2=CC=C(C=C2)F

InChI

InChI=1S/C16H23FN2O2/c1-3-21-16(20)19-10-8-18(9-11-19)13(2)12-14-4-6-15(17)7-5-14/h4-7,13H,3,8-12H2,1-2H3/p+1/t13-/m1/s1