3-[(2S)-butan-2-yl]-4-methoxy-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzenesulfonamide

Systemtic Name: 3-[(2S)-butan-2-yl]-4-methoxy-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzenesulfonamide Openeye Name: 4-methoxy-3-[(1S)-1-methylpropyl]-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzenesulfonamide CAS Name: 3-[(2S)-butan-2-yl]-4-methoxy-N-(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)benzenesulfonamide IUPAC Name: 3-[(2S)-butan-2-yl]-4-methoxy-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzenesulfonamide Traditional Name: 4-methoxy-3-[(1S)-1-methylpropyl]-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzenesulfonamide Formula: C20H35N2O3S+ MolecularWeight: 383.5685

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=C(C=CC(=C1)S(=O)(=O)NC2CC([NH2+]C(C2)(C)C)(C)C)OC

Isomeric SMILES

CC[C@H](C)C1=C(C=CC(=C1)S(=O)(=O)NC2CC([NH2+]C(C2)(C)C)(C)C)OC

InChI

InChI=1S/C20H34N2O3S/c1-8-14(2)17-11-16(9-10-18(17)25-7)26(23,24)21-15-12-19(3,4)22-20(5,6)13-15/h9-11,14-15,21-22H,8,12-13H2,1-7H3/p+1/t14-/m0/s1