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

Systemtic Name: 3-ethanoyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]benzenesulfonamide Openeye Name: 3-acetyl-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]benzenesulfonamide CAS Name: 3-acetyl-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]benzenesulfonamide IUPAC Name: 3-acetyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]benzenesulfonamide Traditional Name: 3-acetyl-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]benzenesulfonamide Formula: C18H22N3O4S+ MolecularWeight: 376.44998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O4S/c1-14(22)16-3-2-4-17(11-16)26(23,24)20-13-15-5-6-18(19-12-15)21-7-9-25-10-8-21/h2-6,11-12,20H,7-10,13H2,1H3/p+1