ethyl (2R)-1-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methylsulfamoyl]piperidine-2-carboxylate

Systemtic Name: ethyl (2R)-1-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methylsulfamoyl]piperidine-2-carboxylate Openeye Name: ethyl (2R)-1-[(6-morpholinopyridin-1-ium-3-yl)methylsulfamoyl]piperidine-2-carboxylate CAS Name: (2R)-1-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methylsulfamoyl]-2-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (2R)-1-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methylsulfamoyl]piperidine-2-carboxylate Traditional Name: (2R)-1-[(6-morpholinopyridin-1-ium-3-yl)methylsulfamoyl]pipecolinic acid ethyl ester Formula: C18H29N4O5S+ MolecularWeight: 413.51166

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCCN1S(=O)(=O)NCC2=C[NH+]=C(C=C2)N3CCOCC3

Isomeric SMILES

CCOC(=O)[C@H]1CCCCN1S(=O)(=O)NCC2=C[NH+]=C(C=C2)N3CCOCC3

InChI

InChI=1S/C18H28N4O5S/c1-2-27-18(23)16-5-3-4-8-22(16)28(24,25)20-14-15-6-7-17(19-13-15)21-9-11-26-12-10-21/h6-7,13,16,20H,2-5,8-12,14H2,1H3/p+1/t16-/m1/s1