2-[3-(4-phenylpiperazin-1-ium-1-yl)propanoylamino]ethanoate

Systemtic Name: 2-[3-(4-phenylpiperazin-1-ium-1-yl)propanoylamino]ethanoate Openeye Name: 2-[3-(4-phenylpiperazin-1-ium-1-yl)propanoylamino]acetate CAS Name: 2-[[1-oxo-3-(4-phenyl-1-piperazin-1-iumyl)propyl]amino]acetate IUPAC Name: 2-[3-(4-phenylpiperazin-1-ium-1-yl)propanoylamino]acetate Traditional Name: 2-[3-(4-phenylpiperazin-1-ium-1-yl)propanoylamino]acetate Formula: C15H21N3O3 MolecularWeight: 291.34554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O3/c19-14(16-12-15(20)21)6-7-17-8-10-18(11-9-17)13-4-2-1-3-5-13/h1-5H,6-12H2,(H,16,19)(H,20,21)