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

Systemtic Name: 2-[2-(4-methylpiperazin-4-ium-1-yl)ethoxy]benzoate Openeye Name: 2-[2-(4-methylpiperazin-4-ium-1-yl)ethoxy]benzoate CAS Name: 2-[2-(4-methyl-1-piperazin-4-iumyl)ethoxy]benzoate IUPAC Name: 2-[2-(4-methylpiperazin-4-ium-1-yl)ethoxy]benzoate Traditional Name: 2-[2-(4-methylpiperazin-4-ium-1-yl)ethoxy]benzoate Formula: C14H20N2O3 MolecularWeight: 264.3202

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CCOC2=CC=CC=C2C(=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)CCOC2=CC=CC=C2C(=O)[O-]

InChI

InChI=1S/C14H20N2O3/c1-15-6-8-16(9-7-15)10-11-19-13-5-3-2-4-12(13)14(17)18/h2-5H,6-11H2,1H3,(H,17,18)