4-fluoranyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-3-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: 4-fluoranyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-3-piperidin-1-ylsulfonyl-benzamide Openeye Name: 4-fluoro-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-3-(1-piperidylsulfonyl)benzamide CAS Name: 4-fluoro-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-3-(1-piperidinylsulfonyl)benzamide IUPAC Name: 4-fluoro-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-3-piperidin-1-ylsulfonylbenzamide Traditional Name: 4-fluoro-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-3-piperidinosulfonyl-benzamide Formula: C22H28FN4O4S+ MolecularWeight: 463.545523

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCC3=C[NH+]=C(C=C3)N4CCOCC4)F

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCC3=C[NH+]=C(C=C3)N4CCOCC4)F

InChI

InChI=1S/C22H27FN4O4S/c23-19-6-5-18(14-20(19)32(29,30)27-8-2-1-3-9-27)22(28)25-16-17-4-7-21(24-15-17)26-10-12-31-13-11-26/h4-7,14-15H,1-3,8-13,16H2,(H,25,28)/p+1