3,4-dimethyl-5-[(6-morpholin-4-ylpyridin-1-ium-3-yl)sulfamoyl]benzoate

Systemtic Name: 3,4-dimethyl-5-[(6-morpholin-4-ylpyridin-1-ium-3-yl)sulfamoyl]benzoate Openeye Name: 3,4-dimethyl-5-[(6-morpholinopyridin-1-ium-3-yl)sulfamoyl]benzoate CAS Name: 3,4-dimethyl-5-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]sulfamoyl]benzoate IUPAC Name: 3,4-dimethyl-5-[(6-morpholin-4-ylpyridin-1-ium-3-yl)sulfamoyl]benzoate Traditional Name: 3,4-dimethyl-5-[(6-morpholinopyridin-1-ium-3-yl)sulfamoyl]benzoate Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)[O-])S(=O)(=O)NC2=C[NH+]=C(C=C2)N3CCOCC3)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)[O-])S(=O)(=O)NC2=C[NH+]=C(C=C2)N3CCOCC3)C

InChI

InChI=1S/C18H21N3O5S/c1-12-9-14(18(22)23)10-16(13(12)2)27(24,25)20-15-3-4-17(19-11-15)21-5-7-26-8-6-21/h3-4,9-11,20H,5-8H2,1-2H3,(H,22,23)