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

Systemtic Name: 1-[2-(4-chlorophenyl)sulfonylethyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium Openeye Name: 1-[2-(4-chlorophenyl)sulfonylethyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium CAS Name: 1-[2-(4-chlorophenyl)sulfonylethyl]-4-(2-pyridin-1-iumyl)piperazin-1-ium IUPAC Name: 1-[2-(4-chlorophenyl)sulfonylethyl]-4-pyridin-1-ium-2-ylpiperazin-1-ium Traditional Name: 1-[2-(4-chlorophenyl)sulfonylethyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium Formula: C17H22ClN3O2S+2 MolecularWeight: 367.89348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20ClN3O2S/c18-15-4-6-16(7-5-15)24(22,23)14-13-20-9-11-21(12-10-20)17-3-1-2-8-19-17/h1-8H,9-14H2/p+2