[(2S)-1-(4-methylpiperazin-4-ium-1-yl)propan-2-yl] 4-fluoranylbenzoate

Systemtic Name: [(2S)-1-(4-methylpiperazin-4-ium-1-yl)propan-2-yl] 4-fluoranylbenzoate Openeye Name: [(1S)-1-methyl-2-(4-methylpiperazin-4-ium-1-yl)ethyl] 4-fluorobenzoate CAS Name: 4-fluorobenzoic acid [(2S)-1-(4-methyl-1-piperazin-4-iumyl)propan-2-yl] ester IUPAC Name: [(2S)-1-(4-methylpiperazin-4-ium-1-yl)propan-2-yl] 4-fluorobenzoate Traditional Name: 4-fluorobenzoic acid [(1S)-1-methyl-2-(4-methylpiperazin-4-ium-1-yl)ethyl] ester Formula: C15H22FN2O2+ MolecularWeight: 281.345783

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1CC[NH+](CC1)C)OC(=O)C2=CC=C(C=C2)F

Isomeric SMILES

C[C@@H](CN1CC[NH+](CC1)C)OC(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C15H21FN2O2/c1-12(11-18-9-7-17(2)8-10-18)20-15(19)13-3-5-14(16)6-4-13/h3-6,12H,7-11H2,1-2H3/p+1/t12-/m0/s1