2-[[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzoxazole

Systemtic Name: 2-[[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzoxazole Openeye Name: 2-[[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzoxazole CAS Name: 2-[[4-(3-chloro-4-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-1,3-benzoxazole IUPAC Name: 2-[[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzoxazole Traditional Name: 2-[[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzoxazole Formula: C18H18ClFN3O3S+ MolecularWeight: 410.870223

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3O2)S(=O)(=O)C4=CC(=C(C=C4)F)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3O2)S(=O)(=O)C4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C18H17ClFN3O3S/c19-14-11-13(5-6-15(14)20)27(24,25)23-9-7-22(8-10-23)12-18-21-16-3-1-2-4-17(16)26-18/h1-6,11H,7-10,12H2/p+1