4,5-bis(chloranyl)-2-(4-methylpiperazin-4-ium-1-yl)carbonyl-benzoate

Systemtic Name: 4,5-bis(chloranyl)-2-(4-methylpiperazin-4-ium-1-yl)carbonyl-benzoate Openeye Name: 4,5-dichloro-2-(4-methylpiperazin-4-ium-1-carbonyl)benzoate CAS Name: 4,5-dichloro-2-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]benzoate IUPAC Name: 4,5-dichloro-2-(4-methylpiperazin-4-ium-1-carbonyl)benzoate Traditional Name: 4,5-dichloro-2-(4-methylpiperazin-4-ium-1-carbonyl)benzoate Formula: C13H14Cl2N2O3 MolecularWeight: 317.16786

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2=CC(=C(C=C2C(=O)[O-])Cl)Cl

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=CC(=C(C=C2C(=O)[O-])Cl)Cl

InChI

InChI=1S/C13H14Cl2N2O3/c1-16-2-4-17(5-3-16)12(18)8-6-10(14)11(15)7-9(8)13(19)20/h6-7H,2-5H2,1H3,(H,19,20)