2,3,5,6-tetramethyl-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzenesulfonamide

Systemtic Name: 2,3,5,6-tetramethyl-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzenesulfonamide Openeye Name: 2,3,5,6-tetramethyl-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzenesulfonamide CAS Name: 2,3,5,6-tetramethyl-N-[[4-(4-morpholin-4-iumylmethyl)phenyl]methyl]benzenesulfonamide IUPAC Name: 2,3,5,6-tetramethyl-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzenesulfonamide Traditional Name: 2,3,5,6-tetramethyl-N-[4-(morpholin-4-ium-4-ylmethyl)benzyl]benzenesulfonamide Formula: C22H31N2O3S+ MolecularWeight: 403.55814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)NCC2=CC=C(C=C2)C[NH+]3CCOCC3)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)NCC2=CC=C(C=C2)C[NH+]3CCOCC3)C)C

InChI

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