3-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)piperidin-1-ium-1-yl]methyl]-N,N-dimethyl-benzenesulfonamide

Systemtic Name: 3-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)piperidin-1-ium-1-yl]methyl]-N,N-dimethyl-benzenesulfonamide Openeye Name: 3-[[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-ium-1-yl]methyl]-N,N-dimethyl-benzenesulfonamide CAS Name: 3-[[4-[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]-1-piperidin-1-iumyl]methyl]-N,N-dimethylbenzenesulfonamide IUPAC Name: 3-[[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-ium-1-yl]methyl]-N,N-dimethylbenzenesulfonamide Traditional Name: 3-[[4-(2,3-dihydro-1,4-benzodioxin-6-carbonyl)piperidin-1-ium-1-yl]methyl]-N,N-dimethyl-benzenesulfonamide Formula: C23H29N2O5S+ MolecularWeight: 445.55176

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=CC(=C1)C[NH+]2CCC(CC2)C(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=CC(=C1)C[NH+]2CCC(CC2)C(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C23H28N2O5S/c1-24(2)31(27,28)20-5-3-4-17(14-20)16-25-10-8-18(9-11-25)23(26)19-6-7-21-22(15-19)30-13-12-29-21/h3-7,14-15,18H,8-13,16H2,1-2H3/p+1