4-morpholin-4-yl-N-[2-(4-sulfamoylphenyl)ethyl]pyridin-1-ium-2-carboxamide

Systemtic Name: 4-morpholin-4-yl-N-[2-(4-sulfamoylphenyl)ethyl]pyridin-1-ium-2-carboxamide Openeye Name: 4-morpholino-N-[2-(4-sulfamoylphenyl)ethyl]pyridin-1-ium-2-carboxamide CAS Name: 4-(4-morpholinyl)-N-[2-(4-sulfamoylphenyl)ethyl]-2-pyridin-1-iumcarboxamide IUPAC Name: 4-morpholin-4-yl-N-[2-(4-sulfamoylphenyl)ethyl]pyridin-1-ium-2-carboxamide Traditional Name: 4-morpholino-N-[2-(4-sulfamoylphenyl)ethyl]pyridin-1-ium-2-carboxamide Formula: C18H23N4O4S+ MolecularWeight: 391.46462

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC(=[NH+]C=C2)C(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

C1COCCN1C2=CC(=[NH+]C=C2)C(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C18H22N4O4S/c19-27(24,25)16-3-1-14(2-4-16)5-7-21-18(23)17-13-15(6-8-20-17)22-9-11-26-12-10-22/h1-4,6,8,13H,5,7,9-12H2,(H,21,23)(H2,19,24,25)/p+1