4-tert-butyl-2,6-dimethyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]benzenesulfonamide

Systemtic Name: 4-tert-butyl-2,6-dimethyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]benzenesulfonamide Openeye Name: 4-tert-butyl-2,6-dimethyl-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]benzenesulfonamide CAS Name: 4-tert-butyl-2,6-dimethyl-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]benzenesulfonamide IUPAC Name: 4-tert-butyl-2,6-dimethyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]benzenesulfonamide Traditional Name: 4-tert-butyl-2,6-dimethyl-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]benzenesulfonamide Formula: C22H32N3O3S+ MolecularWeight: 418.57278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1S(=O)(=O)NCC2=C[NH+]=C(C=C2)N3CCOCC3)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1S(=O)(=O)NCC2=C[NH+]=C(C=C2)N3CCOCC3)C)C(C)(C)C

InChI

InChI=1S/C22H31N3O3S/c1-16-12-19(22(3,4)5)13-17(2)21(16)29(26,27)24-15-18-6-7-20(23-14-18)25-8-10-28-11-9-25/h6-7,12-14,24H,8-11,15H2,1-5H3/p+1