ethyl 4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(3-fluorophenyl)methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-(3-fluorobenzyl)piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C14H20FN2O2+ MolecularWeight: 267.319203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19FN2O2/c1-2-19-14(18)17-8-6-16(7-9-17)11-12-4-3-5-13(15)10-12/h3-5,10H,2,6-9,11H2,1H3/p+1