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

Systemtic Name: 1-[[4-(4-bromanyl-2-chloranyl-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzimidazole Openeye Name: 1-[[4-(4-bromo-2-chloro-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzimidazole CAS Name: 1-[[4-(4-bromo-2-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]benzimidazole IUPAC Name: 1-[[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzimidazole Traditional Name: 1-[[4-(4-bromo-2-chloro-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzimidazole Formula: C18H19BrClN4O2S+ MolecularWeight: 470.79106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18BrClN4O2S/c19-14-5-6-18(15(20)11-14)27(25,26)24-9-7-22(8-10-24)13-23-12-21-16-3-1-2-4-17(16)23/h1-6,11-12H,7-10,13H2/p+1