1-(3-chloranyl-4-fluoranyl-phenyl)sulfonyl-4-[(4-imidazol-1-ylphenyl)methyl]piperazin-4-ium

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)sulfonyl-4-[(4-imidazol-1-ylphenyl)methyl]piperazin-4-ium Openeye Name: 1-(3-chloro-4-fluoro-phenyl)sulfonyl-4-[(4-imidazol-1-ylphenyl)methyl]piperazin-4-ium CAS Name: 1-(3-chloro-4-fluorophenyl)sulfonyl-4-[[4-(1-imidazolyl)phenyl]methyl]piperazin-4-ium IUPAC Name: 1-(3-chloro-4-fluorophenyl)sulfonyl-4-[(4-imidazol-1-ylphenyl)methyl]piperazin-4-ium Traditional Name: 1-(3-chloro-4-fluoro-phenyl)sulfonyl-4-(4-imidazol-1-ylbenzyl)piperazin-4-ium Formula: C20H21ClFN4O2S+ MolecularWeight: 435.922743

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)N3C=CN=C3)S(=O)(=O)C4=CC(=C(C=C4)F)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)N3C=CN=C3)S(=O)(=O)C4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C20H20ClFN4O2S/c21-19-13-18(5-6-20(19)22)29(27,28)26-11-9-24(10-12-26)14-16-1-3-17(4-2-16)25-8-7-23-15-25/h1-8,13,15H,9-12,14H2/p+1