4-(4-ethylpiperazin-4-ium-1-yl)benzoate

Systemtic Name: 4-(4-ethylpiperazin-4-ium-1-yl)benzoate Openeye Name: 4-(4-ethylpiperazin-4-ium-1-yl)benzoate CAS Name: 4-(4-ethyl-1-piperazin-4-iumyl)benzoate IUPAC Name: 4-(4-ethylpiperazin-4-ium-1-yl)benzoate Traditional Name: 4-(4-ethylpiperazin-4-ium-1-yl)benzoate Formula: C13H18N2O2 MolecularWeight: 234.29422

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C13H18N2O2/c1-2-14-7-9-15(10-8-14)12-5-3-11(4-6-12)13(16)17/h3-6H,2,7-10H2,1H3,(H,16,17)