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

Systemtic Name: 2-[[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzothiazole Openeye Name: 2-[[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzothiazole CAS Name: 2-[[4-(3,4-dichlorophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-1,3-benzothiazole IUPAC Name: 2-[[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzothiazole Traditional Name: 2-[[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzothiazole Formula: C18H18Cl2N3O2S2+ MolecularWeight: 443.39042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17Cl2N3O2S2/c19-14-6-5-13(11-15(14)20)27(24,25)23-9-7-22(8-10-23)12-18-21-16-3-1-2-4-17(16)26-18/h1-6,11H,7-10,12H2/p+1