2-methyl-5-methylsulfonyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]benzamide

Systemtic Name: 2-methyl-5-methylsulfonyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]benzamide Openeye Name: 2-methyl-5-methylsulfonyl-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]benzamide CAS Name: 2-methyl-5-methylsulfonyl-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]benzamide IUPAC Name: 2-methyl-5-methylsulfonyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]benzamide Traditional Name: 5-mesyl-2-methyl-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]benzamide Formula: C19H24N3O4S+ MolecularWeight: 390.47656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O4S/c1-14-3-5-16(27(2,24)25)11-17(14)19(23)21-13-15-4-6-18(20-12-15)22-7-9-26-10-8-22/h3-6,11-12H,7-10,13H2,1-2H3,(H,21,23)/p+1