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

Systemtic Name: 2-[(2R)-3-oxidanylidene-1-phenethyl-piperazin-1-ium-2-yl]ethanoate Openeye Name: 2-[(2R)-3-oxo-1-phenethyl-piperazin-1-ium-2-yl]acetate CAS Name: 2-[(2R)-3-oxo-1-phenethyl-2-piperazin-1-iumyl]acetate IUPAC Name: 2-[(2R)-3-oxo-1-phenethylpiperazin-1-ium-2-yl]acetate Traditional Name: 2-[(2R)-3-keto-1-phenethyl-piperazin-1-ium-2-yl]acetate Formula: C14H18N2O3 MolecularWeight: 262.30432

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](C(C(=O)N1)CC(=O)[O-])CCC2=CC=CC=C2

Isomeric SMILES

C1C[NH+]([C@@H](C(=O)N1)CC(=O)[O-])CCC2=CC=CC=C2

InChI

InChI=1S/C14H18N2O3/c17-13(18)10-12-14(19)15-7-9-16(12)8-6-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,15,19)(H,17,18)/t12-/m1/s1