3-[2-(4-ethylpiperazin-4-ium-1-yl)ethoxy]benzoate

Systemtic Name: 3-[2-(4-ethylpiperazin-4-ium-1-yl)ethoxy]benzoate Openeye Name: 3-[2-(4-ethylpiperazin-4-ium-1-yl)ethoxy]benzoate CAS Name: 3-[2-(4-ethyl-1-piperazin-4-iumyl)ethoxy]benzoate IUPAC Name: 3-[2-(4-ethylpiperazin-4-ium-1-yl)ethoxy]benzoate Traditional Name: 3-[2-(4-ethylpiperazin-4-ium-1-yl)ethoxy]benzoate Formula: C15H22N2O3 MolecularWeight: 278.34678

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CCOC2=CC=CC(=C2)C(=O)[O-]

Isomeric SMILES

CC[NH+]1CCN(CC1)CCOC2=CC=CC(=C2)C(=O)[O-]

InChI

InChI=1S/C15H22N2O3/c1-2-16-6-8-17(9-7-16)10-11-20-14-5-3-4-13(12-14)15(18)19/h3-5,12H,2,6-11H2,1H3,(H,18,19)