3-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]propanoate

Systemtic Name: 3-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]propanoate Openeye Name: 3-(4-benzoylpiperazin-1-ium-1-yl)propanoate CAS Name: 3-(4-benzoyl-1-piperazin-1-iumyl)propanoate IUPAC Name: 3-(4-benzoylpiperazin-1-ium-1-yl)propanoate Traditional Name: 3-(4-benzoylpiperazin-1-ium-1-yl)propionate Formula: C14H18N2O3 MolecularWeight: 262.30432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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