O4-tert-butyl O1-[(2-fluorophenyl)methyl] 1-ethyl-3,5-dimethyl-piperazin-1-ium-1,4-dicarboxylate

Systemtic Name: O4-tert-butyl O1-[(2-fluorophenyl)methyl] 1-ethyl-3,5-dimethyl-piperazin-1-ium-1,4-dicarboxylate Openeye Name: O4-tert-butyl O1-[(2-fluorophenyl)methyl] 1-ethyl-3,5-dimethyl-piperazin-1-ium-1,4-dicarboxylate CAS Name: 1-ethyl-3,5-dimethylpiperazin-1-ium-1,4-dicarboxylic acid O4-tert-butyl ester O1-[(2-fluorophenyl)methyl] ester IUPAC Name: 4-O-tert-butyl 1-O-[(2-fluorophenyl)methyl] 1-ethyl-3,5-dimethylpiperazin-1-ium-1,4-dicarboxylate Traditional Name: 1-ethyl-3,5-dimethyl-piperazin-1-ium-1,4-dicarboxylic acid O4-tert-butyl ester O1-(2-fluorobenzyl) ester Formula: C21H32FN2O4+ MolecularWeight: 395.488183

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CC(N(C(C1)C)C(=O)OC(C)(C)C)C)C(=O)OCC2=CC=CC=C2F

Isomeric SMILES

CC[N+]1(CC(N(C(C1)C)C(=O)OC(C)(C)C)C)C(=O)OCC2=CC=CC=C2F

InChI

InChI=1S/C21H32FN2O4/c1-7-24(20(26)27-14-17-10-8-9-11-18(17)22)12-15(2)23(16(3)13-24)19(25)28-21(4,5)6/h8-11,15-16H,7,12-14H2,1-6H3/q+1