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

Systemtic Name: N-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperidin-1-ium-4-yl]-1-methyl-imidazole-4-sulfonamide Openeye Name: N-[1-[(2-chloro-6-fluoro-phenyl)methyl]piperidin-1-ium-4-yl]-1-methyl-imidazole-4-sulfonamide CAS Name: N-[1-[(2-chloro-6-fluorophenyl)methyl]-4-piperidin-1-iumyl]-1-methyl-4-imidazolesulfonamide IUPAC Name: N-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-1-ium-4-yl]-1-methylimidazole-4-sulfonamide Traditional Name: N-[1-(2-chloro-6-fluoro-benzyl)piperidin-1-ium-4-yl]-1-methyl-imidazole-4-sulfonamide Formula: C16H21ClFN4O2S+ MolecularWeight: 387.879943

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(N=C1)S(=O)(=O)NC2CC[NH+](CC2)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

CN1C=C(N=C1)S(=O)(=O)NC2CC[NH+](CC2)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C16H20ClFN4O2S/c1-21-10-16(19-11-21)25(23,24)20-12-5-7-22(8-6-12)9-13-14(17)3-2-4-15(13)18/h2-4,10-12,20H,5-9H2,1H3/p+1