3-propan-2-yl-4-propoxy-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzenesulfonamide

Systemtic Name: 3-propan-2-yl-4-propoxy-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzenesulfonamide Openeye Name: 3-isopropyl-4-propoxy-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzenesulfonamide CAS Name: 3-propan-2-yl-4-propoxy-N-(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)benzenesulfonamide IUPAC Name: 3-propan-2-yl-4-propoxy-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzenesulfonamide Traditional Name: 3-isopropyl-4-propoxy-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzenesulfonamide Formula: C21H37N2O3S+ MolecularWeight: 397.59508

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)S(=O)(=O)NC2CC([NH2+]C(C2)(C)C)(C)C)C(C)C

Isomeric SMILES

CCCOC1=C(C=C(C=C1)S(=O)(=O)NC2CC([NH2+]C(C2)(C)C)(C)C)C(C)C

InChI

InChI=1S/C21H36N2O3S/c1-8-11-26-19-10-9-17(12-18(19)15(2)3)27(24,25)22-16-13-20(4,5)23-21(6,7)14-16/h9-10,12,15-16,22-23H,8,11,13-14H2,1-7H3/p+1