1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium

Systemtic Name: 1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium Openeye Name: 1-[(2-chloro-6-fluoro-phenyl)methyl]-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium CAS Name: 1-[(2-chloro-6-fluorophenyl)methyl]-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium IUPAC Name: 1-[(2-chloro-6-fluorophenyl)methyl]-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium Traditional Name: 1-(2-chloro-6-fluoro-benzyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium Formula: C19H21ClFN2O4S+ MolecularWeight: 427.897443

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C=CC=C2Cl)F)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C=CC=C2Cl)F)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C19H20ClFN2O4S/c20-16-2-1-3-17(21)15(16)13-22-6-8-23(9-7-22)28(24,25)14-4-5-18-19(12-14)27-11-10-26-18/h1-5,12H,6-11,13H2/p+1