4-[methyl-(1-methylpiperidin-1-ium-4-yl)sulfamoyl]benzoate

Systemtic Name: 4-[methyl-(1-methylpiperidin-1-ium-4-yl)sulfamoyl]benzoate Openeye Name: 4-[methyl-(1-methylpiperidin-1-ium-4-yl)sulfamoyl]benzoate CAS Name: 4-[methyl-(1-methyl-4-piperidin-1-iumyl)sulfamoyl]benzoate IUPAC Name: 4-[methyl-(1-methylpiperidin-1-ium-4-yl)sulfamoyl]benzoate Traditional Name: 4-[methyl-(1-methylpiperidin-1-ium-4-yl)sulfamoyl]benzoate Formula: C14H20N2O4S MolecularWeight: 312.3846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O4S/c1-15-9-7-12(8-10-15)16(2)21(19,20)13-5-3-11(4-6-13)14(17)18/h3-6,12H,7-10H2,1-2H3,(H,17,18)