methyl (2S)-4-(3-fluorophenyl)carbonylpiperazin-1-ium-2-carboxylate

Systemtic Name: methyl (2S)-4-(3-fluorophenyl)carbonylpiperazin-1-ium-2-carboxylate Openeye Name: methyl (2S)-4-(3-fluorobenzoyl)piperazin-1-ium-2-carboxylate CAS Name: (2S)-4-[(3-fluorophenyl)-oxomethyl]-2-piperazin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S)-4-(3-fluorobenzoyl)piperazin-1-ium-2-carboxylate Traditional Name: (2S)-4-(3-fluorobenzoyl)piperazin-1-ium-2-carboxylic acid methyl ester Formula: C13H16FN2O3+ MolecularWeight: 267.276143

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CC[NH2+]1)C(=O)C2=CC(=CC=C2)F

Isomeric SMILES

COC(=O)[C@@H]1CN(CC[NH2+]1)C(=O)C2=CC(=CC=C2)F

InChI

InChI=1S/C13H15FN2O3/c1-19-13(18)11-8-16(6-5-15-11)12(17)9-3-2-4-10(14)7-9/h2-4,7,11,15H,5-6,8H2,1H3/p+1/t11-/m0/s1