2-[4-(3-phenylpropanoyl)piperazin-1-ium-1-yl]ethanoate

Systemtic Name: 2-[4-(3-phenylpropanoyl)piperazin-1-ium-1-yl]ethanoate Openeye Name: 2-[4-(3-phenylpropanoyl)piperazin-1-ium-1-yl]acetate CAS Name: 2-[4-(1-oxo-3-phenylpropyl)-1-piperazin-1-iumyl]acetate IUPAC Name: 2-[4-(3-phenylpropanoyl)piperazin-1-ium-1-yl]acetate Traditional Name: 2-(4-hydrocinnamoylpiperazin-1-ium-1-yl)acetate Formula: C15H20N2O3 MolecularWeight: 276.3309

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)[O-])C(=O)CCC2=CC=CC=C2

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)[O-])C(=O)CCC2=CC=CC=C2

InChI

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