2,3,4,5,6-pentamethyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]benzenesulfonamide

Systemtic Name: 2,3,4,5,6-pentamethyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]benzenesulfonamide Openeye Name: 2,3,4,5,6-pentamethyl-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]benzenesulfonamide CAS Name: 2,3,4,5,6-pentamethyl-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]benzenesulfonamide IUPAC Name: 2,3,4,5,6-pentamethyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]benzenesulfonamide Traditional Name: 2,3,4,5,6-pentamethyl-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]benzenesulfonamide Formula: C21H30N3O3S+ MolecularWeight: 404.5462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C)C)S(=O)(=O)NCC2=C[NH+]=C(C=C2)N3CCOCC3)C)C

Isomeric SMILES

CC1=C(C(=C(C(=C1C)C)S(=O)(=O)NCC2=C[NH+]=C(C=C2)N3CCOCC3)C)C

InChI

InChI=1S/C21H29N3O3S/c1-14-15(2)17(4)21(18(5)16(14)3)28(25,26)23-13-19-6-7-20(22-12-19)24-8-10-27-11-9-24/h6-7,12,23H,8-11,13H2,1-5H3/p+1