2,3,5,6-tetramethyl-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]benzenesulfonamide

Systemtic Name: 2,3,5,6-tetramethyl-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]benzenesulfonamide Openeye Name: 2,3,5,6-tetramethyl-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]benzenesulfonamide CAS Name: 2,3,5,6-tetramethyl-N-[(1S)-2-(4-morpholin-4-iumyl)-1-phenylethyl]benzenesulfonamide IUPAC Name: 2,3,5,6-tetramethyl-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]benzenesulfonamide Traditional Name: 2,3,5,6-tetramethyl-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]benzenesulfonamide Formula: C22H31N2O3S+ MolecularWeight: 403.55814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)NC(C[NH+]2CCOCC2)C3=CC=CC=C3)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)N[C@H](C[NH+]2CCOCC2)C3=CC=CC=C3)C)C

InChI

InChI=1S/C22H30N2O3S/c1-16-14-17(2)19(4)22(18(16)3)28(25,26)23-21(20-8-6-5-7-9-20)15-24-10-12-27-13-11-24/h5-9,14,21,23H,10-13,15H2,1-4H3/p+1/t21-/m1/s1