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

Systemtic Name: 2,5-dimethyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]benzenesulfonamide Openeye Name: 2,5-dimethyl-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]benzenesulfonamide CAS Name: 2,5-dimethyl-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]benzenesulfonamide IUPAC Name: 2,5-dimethyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]benzenesulfonamide Traditional Name: 2,5-dimethyl-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]benzenesulfonamide Formula: C18H24N3O3S+ MolecularWeight: 362.46646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)NCC2=C[NH+]=C(C=C2)N3CCOCC3

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)NCC2=C[NH+]=C(C=C2)N3CCOCC3

InChI

InChI=1S/C18H23N3O3S/c1-14-3-4-15(2)17(11-14)25(22,23)20-13-16-5-6-18(19-12-16)21-7-9-24-10-8-21/h3-6,11-12,20H,7-10,13H2,1-2H3/p+1