(3S)-1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate

Systemtic Name: (3S)-1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: (3S)-1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-[4-(4-fluorophenyl)-1-piperazinyl]-2-oxoethyl]-3-piperidin-1-iumcarboxylate IUPAC Name: (3S)-1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-[4-(4-fluorophenyl)piperazino]-2-keto-ethyl]piperidin-1-ium-3-carboxylate Formula: C18H24FN3O3 MolecularWeight: 349.399863

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC(=O)N2CCN(CC2)C3=CC=C(C=C3)F)C(=O)[O-]

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC(=O)N2CCN(CC2)C3=CC=C(C=C3)F)C(=O)[O-]

InChI

InChI=1S/C18H24FN3O3/c19-15-3-5-16(6-4-15)21-8-10-22(11-9-21)17(23)13-20-7-1-2-14(12-20)18(24)25/h3-6,14H,1-2,7-13H2,(H,24,25)/t14-/m0/s1