1-[[4-(methylsulfamoylmethyl)phenyl]methyl]-3-[(2-morpholin-4-ylpyridin-1-ium-3-yl)methyl]urea

Systemtic Name: 1-[[4-(methylsulfamoylmethyl)phenyl]methyl]-3-[(2-morpholin-4-ylpyridin-1-ium-3-yl)methyl]urea Openeye Name: 1-[[4-(methylsulfamoylmethyl)phenyl]methyl]-3-[(2-morpholinopyridin-1-ium-3-yl)methyl]urea CAS Name: 1-[[4-(methylsulfamoylmethyl)phenyl]methyl]-3-[[2-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]urea IUPAC Name: 1-[[4-(methylsulfamoylmethyl)phenyl]methyl]-3-[(2-morpholin-4-ylpyridin-1-ium-3-yl)methyl]urea Traditional Name: 1-[4-(methylsulfamoylmethyl)benzyl]-3-[(2-morpholinopyridin-1-ium-3-yl)methyl]urea Formula: C20H28N5O4S+ MolecularWeight: 434.53242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N5O4S/c1-21-30(27,28)15-17-6-4-16(5-7-17)13-23-20(26)24-14-18-3-2-8-22-19(18)25-9-11-29-12-10-25/h2-8,21H,9-15H2,1H3,(H2,23,24,26)/p+1