2-[2-(4-phenylpiperazin-1-ium-1-yl)ethanoylamino]ethanoate

Systemtic Name: 2-[2-(4-phenylpiperazin-1-ium-1-yl)ethanoylamino]ethanoate Openeye Name: 2-[[2-(4-phenylpiperazin-1-ium-1-yl)acetyl]amino]acetate CAS Name: 2-[[1-oxo-2-(4-phenyl-1-piperazin-1-iumyl)ethyl]amino]acetate IUPAC Name: 2-[[2-(4-phenylpiperazin-1-ium-1-yl)acetyl]amino]acetate Traditional Name: 2-[[2-(4-phenylpiperazin-1-ium-1-yl)acetyl]amino]acetate Formula: C14H19N3O3 MolecularWeight: 277.31896

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCC(=O)[O-])C2=CC=CC=C2

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCC(=O)[O-])C2=CC=CC=C2

InChI

InChI=1S/C14H19N3O3/c18-13(15-10-14(19)20)11-16-6-8-17(9-7-16)12-4-2-1-3-5-12/h1-5H,6-11H2,(H,15,18)(H,19,20)