N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-4-morpholin-4-yl-pyridin-1-ium-2-carboxamide

Systemtic Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-4-morpholin-4-yl-pyridin-1-ium-2-carboxamide Openeye Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-4-morpholino-pyridin-1-ium-2-carboxamide CAS Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-4-(4-morpholinyl)-2-pyridin-1-iumcarboxamide IUPAC Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-4-morpholin-4-ylpyridin-1-ium-2-carboxamide Traditional Name: 4-morpholino-N-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]pyridin-1-ium-2-carboxamide Formula: C20H25N5O4S+2 MolecularWeight: 431.5086

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=[NH+]C=CC(=C3)N4CCOCC4

Isomeric SMILES

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=[NH+]C=CC(=C3)N4CCOCC4

InChI

InChI=1S/C20H23N5O4S/c26-20(18-14-16(6-8-21-18)25-9-11-29-12-10-25)23-15-3-1-4-17(13-15)30(27,28)24-19-5-2-7-22-19/h1,3-4,6,8,13-14H,2,5,7,9-12H2,(H,22,24)(H,23,26)/p+2