methyl 4-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methylsulfamoyl]benzoate

Systemtic Name: methyl 4-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methylsulfamoyl]benzoate Openeye Name: methyl 4-[(6-morpholinopyridin-1-ium-3-yl)methylsulfamoyl]benzoate CAS Name: 4-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methylsulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methylsulfamoyl]benzoate Traditional Name: 4-[(6-morpholinopyridin-1-ium-3-yl)methylsulfamoyl]benzoic acid methyl ester Formula: C18H22N3O5S+ MolecularWeight: 392.44938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O5S/c1-25-18(22)15-3-5-16(6-4-15)27(23,24)20-13-14-2-7-17(19-12-14)21-8-10-26-11-9-21/h2-7,12,20H,8-11,13H2,1H3/p+1