2,3,5,6-tetramethyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]benzenesulfonamide

Systemtic Name: 2,3,5,6-tetramethyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]benzenesulfonamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-2,3,5,6-tetramethyl-benzenesulfonamide CAS Name: 2,3,5,6-tetramethyl-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]benzenesulfonamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-2,3,5,6-tetramethylbenzenesulfonamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-2,3,5,6-tetramethyl-benzenesulfonamide Formula: C22H31N2O2S+ MolecularWeight: 387.55874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3)C)C

InChI

InChI=1S/C22H30N2O2S/c1-16-14-17(2)19(4)22(18(16)3)27(25,26)23-21-10-12-24(13-11-21)15-20-8-6-5-7-9-20/h5-9,14,21,23H,10-13,15H2,1-4H3/p+1