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

Systemtic Name: 1-[[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]pyridine-2-thione Openeye Name: 1-[[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]pyridine-2-thione CAS Name: 1-[[4-(3,4-dichlorophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-2-pyridinethione IUPAC Name: 1-[[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]pyridine-2-thione Traditional Name: 1-[[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]pyridine-2-thione Formula: C16H18Cl2N3O2S2+ MolecularWeight: 419.36902

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C=CC=CC2=S)S(=O)(=O)C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

C1CN(CC[NH+]1CN2C=CC=CC2=S)S(=O)(=O)C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C16H17Cl2N3O2S2/c17-14-5-4-13(11-15(14)18)25(22,23)21-9-7-19(8-10-21)12-20-6-2-1-3-16(20)24/h1-6,11H,7-10,12H2/p+1