butyl 1,1,2,2,6-pentamethyl-3-(phenylsulfonylamino)piperidin-1-ium-4-carboxylate

Systemtic Name: butyl 1,1,2,2,6-pentamethyl-3-(phenylsulfonylamino)piperidin-1-ium-4-carboxylate Openeye Name: butyl 3-(benzenesulfonamido)-1,1,2,2,6-pentamethyl-piperidin-1-ium-4-carboxylate CAS Name: 3-(benzenesulfonamido)-1,1,2,2,6-pentamethyl-4-piperidin-1-iumcarboxylic acid butyl ester IUPAC Name: butyl 3-(benzenesulfonamido)-1,1,2,2,6-pentamethylpiperidin-1-ium-4-carboxylate Traditional Name: 3-(benzenesulfonamido)-1,1,2,2,6-pentamethyl-piperidin-1-ium-4-carboxylic acid butyl ester Formula: C21H35N2O4S+ MolecularWeight: 411.5786

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1CC([N+](C(C1NS(=O)(=O)C2=CC=CC=C2)(C)C)(C)C)C

Isomeric SMILES

CCCCOC(=O)C1CC([N+](C(C1NS(=O)(=O)C2=CC=CC=C2)(C)C)(C)C)C

InChI

InChI=1S/C21H35N2O4S/c1-7-8-14-27-20(24)18-15-16(2)23(5,6)21(3,4)19(18)22-28(25,26)17-12-10-9-11-13-17/h9-13,16,18-19,22H,7-8,14-15H2,1-6H3/q+1