2-[[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzothiazole

Systemtic Name: 2-[[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzothiazole Openeye Name: 2-[[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzothiazole CAS Name: 2-[[4-(3-bromophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-1,3-benzothiazole IUPAC Name: 2-[[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzothiazole Traditional Name: 2-[[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzothiazole Formula: C18H19BrN3O2S2+ MolecularWeight: 453.39636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18BrN3O2S2/c19-14-4-3-5-15(12-14)26(23,24)22-10-8-21(9-11-22)13-18-20-16-6-1-2-7-17(16)25-18/h1-7,12H,8-11,13H2/p+1