ethyl 4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(2-chloro-6-fluoro-phenyl)methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(2-chloro-6-fluorophenyl)methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2-chloro-6-fluorophenyl)methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-(2-chloro-6-fluoro-benzyl)piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C14H19ClFN2O2+ MolecularWeight: 301.764263

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC2=C(C=CC=C2Cl)F

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC2=C(C=CC=C2Cl)F

InChI

InChI=1S/C14H18ClFN2O2/c1-2-20-14(19)18-8-6-17(7-9-18)10-11-12(15)4-3-5-13(11)16/h3-5H,2,6-10H2,1H3/p+1