1-[2-(2,4-dichlorophenyl)sulfonylethyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium

Systemtic Name: 1-[2-(2,4-dichlorophenyl)sulfonylethyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium Openeye Name: 1-[2-(2,4-dichlorophenyl)sulfonylethyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium CAS Name: 1-[2-(2,4-dichlorophenyl)sulfonylethyl]-4-(2-pyridin-1-iumyl)piperazin-1-ium IUPAC Name: 1-[2-(2,4-dichlorophenyl)sulfonylethyl]-4-pyridin-1-ium-2-ylpiperazin-1-ium Traditional Name: 1-[2-(2,4-dichlorophenyl)sulfonylethyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium Formula: C17H21Cl2N3O2S+2 MolecularWeight: 402.33854

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCS(=O)(=O)C2=C(C=C(C=C2)Cl)Cl)C3=CC=CC=[NH+]3

Isomeric SMILES

C1CN(CC[NH+]1CCS(=O)(=O)C2=C(C=C(C=C2)Cl)Cl)C3=CC=CC=[NH+]3

InChI

InChI=1S/C17H19Cl2N3O2S/c18-14-4-5-16(15(19)13-14)25(23,24)12-11-21-7-9-22(10-8-21)17-3-1-2-6-20-17/h1-6,13H,7-12H2/p+2