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

Systemtic Name: 4-tert-butyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]benzenesulfonamide Openeye Name: 4-tert-butyl-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]benzenesulfonamide CAS Name: 4-tert-butyl-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]benzenesulfonamide IUPAC Name: 4-tert-butyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]benzenesulfonamide Traditional Name: 4-tert-butyl-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]benzenesulfonamide Formula: C20H28N3O3S+ MolecularWeight: 390.51962

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NCC2=C[NH+]=C(C=C2)N3CCOCC3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NCC2=C[NH+]=C(C=C2)N3CCOCC3

InChI

InChI=1S/C20H27N3O3S/c1-20(2,3)17-5-7-18(8-6-17)27(24,25)22-15-16-4-9-19(21-14-16)23-10-12-26-13-11-23/h4-9,14,22H,10-13,15H2,1-3H3/p+1