N-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperidin-1-ium-4-yl]-2,1,3-benzoxadiazole-4-sulfonamide

Systemtic Name: N-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperidin-1-ium-4-yl]-2,1,3-benzoxadiazole-4-sulfonamide Openeye Name: N-[1-[(2-chloro-6-fluoro-phenyl)methyl]piperidin-1-ium-4-yl]-2,1,3-benzoxadiazole-4-sulfonamide CAS Name: N-[1-[(2-chloro-6-fluorophenyl)methyl]-4-piperidin-1-iumyl]-2,1,3-benzoxadiazole-4-sulfonamide IUPAC Name: N-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-1-ium-4-yl]-2,1,3-benzoxadiazole-4-sulfonamide Traditional Name: N-[1-(2-chloro-6-fluoro-benzyl)piperidin-1-ium-4-yl]benzofurazan-4-sulfonamide Formula: C18H19ClFN4O3S+ MolecularWeight: 425.884863

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NS(=O)(=O)C2=CC=CC3=NON=C32)CC4=C(C=CC=C4Cl)F

Isomeric SMILES

C1C[NH+](CCC1NS(=O)(=O)C2=CC=CC3=NON=C32)CC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C18H18ClFN4O3S/c19-14-3-1-4-15(20)13(14)11-24-9-7-12(8-10-24)23-28(25,26)17-6-2-5-16-18(17)22-27-21-16/h1-6,12,23H,7-11H2/p+1