2-chloranyl-6-(4-methylpiperazin-4-ium-1-yl)benzoate

Systemtic Name: 2-chloranyl-6-(4-methylpiperazin-4-ium-1-yl)benzoate Openeye Name: 2-chloro-6-(4-methylpiperazin-4-ium-1-yl)benzoate CAS Name: 2-chloro-6-(4-methyl-1-piperazin-4-iumyl)benzoate IUPAC Name: 2-chloro-6-(4-methylpiperazin-4-ium-1-yl)benzoate Traditional Name: 2-chloro-6-(4-methylpiperazin-4-ium-1-yl)benzoate Formula: C12H15ClN2O2 MolecularWeight: 254.7127

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15ClN2O2/c1-14-5-7-15(8-6-14)10-4-2-3-9(13)11(10)12(16)17/h2-4H,5-8H2,1H3,(H,16,17)