methyl 2-[3-(4-methylpiperidin-1-ium-1-yl)propylsulfamoyl]benzoate

Systemtic Name: methyl 2-[3-(4-methylpiperidin-1-ium-1-yl)propylsulfamoyl]benzoate Openeye Name: methyl 2-[3-(4-methylpiperidin-1-ium-1-yl)propylsulfamoyl]benzoate CAS Name: 2-[3-(4-methyl-1-piperidin-1-iumyl)propylsulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 2-[3-(4-methylpiperidin-1-ium-1-yl)propylsulfamoyl]benzoate Traditional Name: 2-[3-(4-methylpiperidin-1-ium-1-yl)propylsulfamoyl]benzoic acid methyl ester Formula: C17H27N2O4S+ MolecularWeight: 355.47228

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CCCNS(=O)(=O)C2=CC=CC=C2C(=O)OC

Isomeric SMILES

CC1CC[NH+](CC1)CCCNS(=O)(=O)C2=CC=CC=C2C(=O)OC

InChI

InChI=1S/C17H26N2O4S/c1-14-8-12-19(13-9-14)11-5-10-18-24(21,22)16-7-4-3-6-15(16)17(20)23-2/h3-4,6-7,14,18H,5,8-13H2,1-2H3/p+1