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

Systemtic Name: 2-[3-(4-ethylpiperazin-4-ium-1-yl)propoxy]benzoate Openeye Name: 2-[3-(4-ethylpiperazin-4-ium-1-yl)propoxy]benzoate CAS Name: 2-[3-(4-ethyl-1-piperazin-4-iumyl)propoxy]benzoate IUPAC Name: 2-[3-(4-ethylpiperazin-4-ium-1-yl)propoxy]benzoate Traditional Name: 2-[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=C2C(=O)[O-]

Isomeric SMILES

CC[NH+]1CCN(CC1)CCCOC2=CC=CC=C2C(=O)[O-]

InChI

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