2,4-bis(chloranyl)-5-[methyl-(1-methylpiperidin-1-ium-4-yl)sulfamoyl]benzoate

Systemtic Name: 2,4-bis(chloranyl)-5-[methyl-(1-methylpiperidin-1-ium-4-yl)sulfamoyl]benzoate Openeye Name: 2,4-dichloro-5-[methyl-(1-methylpiperidin-1-ium-4-yl)sulfamoyl]benzoate CAS Name: 2,4-dichloro-5-[methyl-(1-methyl-4-piperidin-1-iumyl)sulfamoyl]benzoate IUPAC Name: 2,4-dichloro-5-[methyl-(1-methylpiperidin-1-ium-4-yl)sulfamoyl]benzoate Traditional Name: 2,4-dichloro-5-[methyl-(1-methylpiperidin-1-ium-4-yl)sulfamoyl]benzoate Formula: C14H18Cl2N2O4S MolecularWeight: 381.27472

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)N(C)S(=O)(=O)C2=C(C=C(C(=C2)C(=O)[O-])Cl)Cl

Isomeric SMILES

C[NH+]1CCC(CC1)N(C)S(=O)(=O)C2=C(C=C(C(=C2)C(=O)[O-])Cl)Cl

InChI

InChI=1S/C14H18Cl2N2O4S/c1-17-5-3-9(4-6-17)18(2)23(21,22)13-7-10(14(19)20)11(15)8-12(13)16/h7-9H,3-6H2,1-2H3,(H,19,20)