N-(4-methylsulfonylphenyl)-4-morpholin-4-yl-pyridin-1-ium-2-carboxamide

Systemtic Name: N-(4-methylsulfonylphenyl)-4-morpholin-4-yl-pyridin-1-ium-2-carboxamide Openeye Name: N-(4-methylsulfonylphenyl)-4-morpholino-pyridin-1-ium-2-carboxamide CAS Name: N-(4-methylsulfonylphenyl)-4-(4-morpholinyl)-2-pyridin-1-iumcarboxamide IUPAC Name: N-(4-methylsulfonylphenyl)-4-morpholin-4-ylpyridin-1-ium-2-carboxamide Traditional Name: N-(4-mesylphenyl)-4-morpholino-pyridin-1-ium-2-carboxamide Formula: C17H20N3O4S+ MolecularWeight: 362.4234

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=[NH+]C=CC(=C2)N3CCOCC3

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=[NH+]C=CC(=C2)N3CCOCC3

InChI

InChI=1S/C17H19N3O4S/c1-25(22,23)15-4-2-13(3-5-15)19-17(21)16-12-14(6-7-18-16)20-8-10-24-11-9-20/h2-7,12H,8-11H2,1H3,(H,19,21)/p+1