2-[(2R)-3-oxidanylidene-1-(3-phenylpropyl)piperazin-1-ium-2-yl]ethanoate

Systemtic Name: 2-[(2R)-3-oxidanylidene-1-(3-phenylpropyl)piperazin-1-ium-2-yl]ethanoate Openeye Name: 2-[(2R)-3-oxo-1-(3-phenylpropyl)piperazin-1-ium-2-yl]acetate CAS Name: 2-[(2R)-3-oxo-1-(3-phenylpropyl)-2-piperazin-1-iumyl]acetate IUPAC Name: 2-[(2R)-3-oxo-1-(3-phenylpropyl)piperazin-1-ium-2-yl]acetate Traditional Name: 2-[(2R)-3-keto-1-(3-phenylpropyl)piperazin-1-ium-2-yl]acetate Formula: C15H20N2O3 MolecularWeight: 276.3309

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](C(C(=O)N1)CC(=O)[O-])CCCC2=CC=CC=C2

Isomeric SMILES

C1C[NH+]([C@@H](C(=O)N1)CC(=O)[O-])CCCC2=CC=CC=C2

InChI

InChI=1S/C15H20N2O3/c18-14(19)11-13-15(20)16-8-10-17(13)9-4-7-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2,(H,16,20)(H,18,19)/t13-/m1/s1