1-[[4-[2-chloranyl-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]benzimidazole

Systemtic Name: 1-[[4-[2-chloranyl-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]benzimidazole Openeye Name: 1-[[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]benzimidazole CAS Name: 1-[[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-1-piperazin-1-iumyl]methyl]benzimidazole IUPAC Name: 1-[[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]benzimidazole Traditional Name: 1-[[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]benzimidazole Formula: C19H19ClF3N4O2S+ MolecularWeight: 459.89297

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C=NC3=CC=CC=C32)S(=O)(=O)C4=C(C=CC(=C4)C(F)(F)F)Cl

Isomeric SMILES

C1CN(CC[NH+]1CN2C=NC3=CC=CC=C32)S(=O)(=O)C4=C(C=CC(=C4)C(F)(F)F)Cl

InChI

InChI=1S/C19H18ClF3N4O2S/c20-15-6-5-14(19(21,22)23)11-18(15)30(28,29)27-9-7-25(8-10-27)13-26-12-24-16-3-1-2-4-17(16)26/h1-6,11-12H,7-10,13H2/p+1