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

Systemtic Name: 3-(diethylsulfamoyl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]benzamide Openeye Name: 3-(diethylsulfamoyl)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]benzamide CAS Name: 3-(diethylsulfamoyl)-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]benzamide IUPAC Name: 3-(diethylsulfamoyl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]benzamide Traditional Name: 3-(diethylsulfamoyl)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]benzamide Formula: C21H29N4O4S+ MolecularWeight: 433.54436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O4S/c1-3-25(4-2)30(27,28)19-7-5-6-18(14-19)21(26)23-16-17-8-9-20(22-15-17)24-10-12-29-13-11-24/h5-9,14-15H,3-4,10-13,16H2,1-2H3,(H,23,26)/p+1