N-[2,5-bis(chloranyl)phenyl]-4-methyl-N-(2-oxidanyl-3-piperidin-1-ium-1-yl-propyl)benzenesulfonamide

Systemtic Name: N-[2,5-bis(chloranyl)phenyl]-4-methyl-N-(2-oxidanyl-3-piperidin-1-ium-1-yl-propyl)benzenesulfonamide Openeye Name: N-(2,5-dichlorophenyl)-N-(2-hydroxy-3-piperidin-1-ium-1-yl-propyl)-4-methyl-benzenesulfonamide CAS Name: N-(2,5-dichlorophenyl)-N-[2-hydroxy-3-(1-piperidin-1-iumyl)propyl]-4-methylbenzenesulfonamide IUPAC Name: N-(2,5-dichlorophenyl)-N-(2-hydroxy-3-piperidin-1-ium-1-ylpropyl)-4-methylbenzenesulfonamide Traditional Name: N-(2,5-dichlorophenyl)-N-(2-hydroxy-3-piperidin-1-ium-1-yl-propyl)-4-methyl-benzenesulfonamide Formula: C21H27Cl2N2O3S+ MolecularWeight: 458.42168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(C[NH+]2CCCCC2)O)C3=C(C=CC(=C3)Cl)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(C[NH+]2CCCCC2)O)C3=C(C=CC(=C3)Cl)Cl

InChI

InChI=1S/C21H26Cl2N2O3S/c1-16-5-8-19(9-6-16)29(27,28)25(21-13-17(22)7-10-20(21)23)15-18(26)14-24-11-3-2-4-12-24/h5-10,13,18,26H,2-4,11-12,14-15H2,1H3/p+1