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

Systemtic Name: methyl 4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-carboxylate Openeye Name: methyl 4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(4-fluorophenyl)methyl]-1-piperazin-4-iumcarboxylic acid methyl ester IUPAC Name: methyl 4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-(4-fluorobenzyl)piperazin-4-ium-1-carboxylic acid methyl ester Formula: C13H18FN2O2+ MolecularWeight: 253.292623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17FN2O2/c1-18-13(17)16-8-6-15(7-9-16)10-11-2-4-12(14)5-3-11/h2-5H,6-10H2,1H3/p+1