3-(4-methylpiperazin-4-ium-1-yl)benzoate

Systemtic Name: 3-(4-methylpiperazin-4-ium-1-yl)benzoate Openeye Name: 3-(4-methylpiperazin-4-ium-1-yl)benzoate CAS Name: 3-(4-methyl-1-piperazin-4-iumyl)benzoate IUPAC Name: 3-(4-methylpiperazin-4-ium-1-yl)benzoate Traditional Name: 3-(4-methylpiperazin-4-ium-1-yl)benzoate Formula: C12H16N2O2 MolecularWeight: 220.26764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O2/c1-13-5-7-14(8-6-13)11-4-2-3-10(9-11)12(15)16/h2-4,9H,5-8H2,1H3,(H,15,16)