1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-4-(6-chloranylpyridin-3-yl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-4-(6-chloranylpyridin-3-yl)sulfonyl-piperazin-1-ium Openeye Name: 1-[(2-chloro-6-fluoro-phenyl)methyl]-4-[(6-chloro-3-pyridyl)sulfonyl]piperazin-1-ium CAS Name: 1-[(2-chloro-6-fluorophenyl)methyl]-4-[(6-chloro-3-pyridinyl)sulfonyl]piperazin-1-ium IUPAC Name: 1-[(2-chloro-6-fluorophenyl)methyl]-4-(6-chloropyridin-3-yl)sulfonylpiperazin-1-ium Traditional Name: 1-(2-chloro-6-fluoro-benzyl)-4-[(6-chloro-3-pyridyl)sulfonyl]piperazin-1-ium Formula: C16H17Cl2FN3O2S+ MolecularWeight: 405.294483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16Cl2FN3O2S/c17-14-2-1-3-15(19)13(14)11-21-6-8-22(9-7-21)25(23,24)12-4-5-16(18)20-10-12/h1-5,10H,6-9,11H2/p+1