2,4-bis(chloranyl)-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl-benzoate

Systemtic Name: 2,4-bis(chloranyl)-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl-benzoate Openeye Name: 2,4-dichloro-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl-benzoate CAS Name: 2,4-dichloro-5-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]sulfonyl]benzoate IUPAC Name: 2,4-dichloro-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 2,4-dichloro-5-(4-pyridin-1-ium-2-ylpiperazino)sulfonyl-benzoate Formula: C16H15Cl2N3O4S MolecularWeight: 416.279

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)S(=O)(=O)C3=C(C=C(C(=C3)C(=O)[O-])Cl)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)S(=O)(=O)C3=C(C=C(C(=C3)C(=O)[O-])Cl)Cl

InChI

InChI=1S/C16H15Cl2N3O4S/c17-12-10-13(18)14(9-11(12)16(22)23)26(24,25)21-7-5-20(6-8-21)15-3-1-2-4-19-15/h1-4,9-10H,5-8H2,(H,22,23)