2-(1-phenylpiperazin-1-ium-1-yl)butanoic acid

Systemtic Name: 2-(1-phenylpiperazin-1-ium-1-yl)butanoic acid Openeye Name: 2-(1-phenylpiperazin-1-ium-1-yl)butanoic acid CAS Name: 2-(1-phenyl-1-piperazin-1-iumyl)butanoic acid IUPAC Name: 2-(1-phenylpiperazin-1-ium-1-yl)butanoic acid Traditional Name: 2-(1-phenylpiperazin-1-ium-1-yl)butyric acid Formula: C14H21N2O2+ MolecularWeight: 249.32874

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)[N+]1(CCNCC1)C2=CC=CC=C2

Isomeric SMILES

CCC(C(=O)O)[N+]1(CCNCC1)C2=CC=CC=C2

InChI

InChI=1S/C14H20N2O2/c1-2-13(14(17)18)16(10-8-15-9-11-16)12-6-4-3-5-7-12/h3-7,13,15H,2,8-11H2,1H3/p+1