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

Systemtic Name: 3-[[4-(3,4-dichlorophenyl)piperazin-1-ium-1-yl]methyl]-1,3-benzothiazole-2-thione Openeye Name: 3-[[4-(3,4-dichlorophenyl)piperazin-1-ium-1-yl]methyl]-1,3-benzothiazole-2-thione CAS Name: 3-[[4-(3,4-dichlorophenyl)-1-piperazin-1-iumyl]methyl]-1,3-benzothiazole-2-thione IUPAC Name: 3-[[4-(3,4-dichlorophenyl)piperazin-1-ium-1-yl]methyl]-1,3-benzothiazole-2-thione Traditional Name: 3-[[4-(3,4-dichlorophenyl)piperazin-1-ium-1-yl]methyl]-1,3-benzothiazole-2-thione Formula: C18H18Cl2N3S2+ MolecularWeight: 411.39162

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C3=CC=CC=C3SC2=S)C4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

C1CN(CC[NH+]1CN2C3=CC=CC=C3SC2=S)C4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C18H17Cl2N3S2/c19-14-6-5-13(11-15(14)20)22-9-7-21(8-10-22)12-23-16-3-1-2-4-17(16)25-18(23)24/h1-6,11H,7-10,12H2/p+1