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

Systemtic Name: 3-[2-(4-methylpiperazin-4-ium-1-yl)ethoxy]benzoate Openeye Name: 3-[2-(4-methylpiperazin-4-ium-1-yl)ethoxy]benzoate CAS Name: 3-[2-(4-methyl-1-piperazin-4-iumyl)ethoxy]benzoate IUPAC Name: 3-[2-(4-methylpiperazin-4-ium-1-yl)ethoxy]benzoate Traditional Name: 3-[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(=C2)C(=O)[O-]

Isomeric SMILES

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

InChI

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