2-[[4-(4-bromanyl-2-chloranyl-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzothiazole

Systemtic Name: 2-[[4-(4-bromanyl-2-chloranyl-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzothiazole Openeye Name: 2-[[4-(4-bromo-2-chloro-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzothiazole CAS Name: 2-[[4-(4-bromo-2-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-1,3-benzothiazole IUPAC Name: 2-[[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzothiazole Traditional Name: 2-[[4-(4-bromo-2-chloro-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzothiazole Formula: C18H18BrClN3O2S2+ MolecularWeight: 487.84142

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)S(=O)(=O)C4=C(C=C(C=C4)Br)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)S(=O)(=O)C4=C(C=C(C=C4)Br)Cl

InChI

InChI=1S/C18H17BrClN3O2S2/c19-13-5-6-17(14(20)11-13)27(24,25)23-9-7-22(8-10-23)12-18-21-15-3-1-2-4-16(15)26-18/h1-6,11H,7-10,12H2/p+1