4-tert-butyl-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzenesulfonamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NCC2=CC=CC=C2C[NH+]3CCOCC3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NCC2=CC=CC=C2C[NH+]3CCOCC3

InChI

InChI=1S/C22H30N2O3S/c1-22(2,3)20-8-10-21(11-9-20)28(25,26)23-16-18-6-4-5-7-19(18)17-24-12-14-27-15-13-24/h4-11,23H,12-17H2,1-3H3/p+1