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

Systemtic Name: 3-[3-(4-ethylpiperazin-4-ium-1-yl)propoxy]benzoate Openeye Name: 3-[3-(4-ethylpiperazin-4-ium-1-yl)propoxy]benzoate CAS Name: 3-[3-(4-ethyl-1-piperazin-4-iumyl)propoxy]benzoate IUPAC Name: 3-[3-(4-ethylpiperazin-4-ium-1-yl)propoxy]benzoate Traditional Name: 3-[3-(4-ethylpiperazin-4-ium-1-yl)propoxy]benzoate Formula: C16H24N2O3 MolecularWeight: 292.37336

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CCCOC2=CC=CC(=C2)C(=O)[O-]

Isomeric SMILES

CC[NH+]1CCN(CC1)CCCOC2=CC=CC(=C2)C(=O)[O-]

InChI

InChI=1S/C16H24N2O3/c1-2-17-8-10-18(11-9-17)7-4-12-21-15-6-3-5-14(13-15)16(19)20/h3,5-6,13H,2,4,7-12H2,1H3,(H,19,20)