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

Systemtic Name: 2-chloranyl-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl-benzoate Openeye Name: 2-chloro-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl-benzoate CAS Name: 2-chloro-5-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]sulfonyl]benzoate IUPAC Name: 2-chloro-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 2-chloro-5-(4-pyridin-1-ium-2-ylpiperazino)sulfonyl-benzoate Formula: C16H16ClN3O4S MolecularWeight: 381.83394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16ClN3O4S/c17-14-5-4-12(11-13(14)16(21)22)25(23,24)20-9-7-19(8-10-20)15-3-1-2-6-18-15/h1-6,11H,7-10H2,(H,21,22)