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

Systemtic Name: 1-[2-(2,4-dichlorophenyl)sulfonylethyl]-4-pyridin-1-ium-2-yl-piperazine Openeye Name: 1-[2-(2,4-dichlorophenyl)sulfonylethyl]-4-pyridin-1-ium-2-yl-piperazine CAS Name: 1-[2-(2,4-dichlorophenyl)sulfonylethyl]-4-(2-pyridin-1-iumyl)piperazine IUPAC Name: 1-[2-(2,4-dichlorophenyl)sulfonylethyl]-4-pyridin-1-ium-2-ylpiperazine Traditional Name: 1-[2-(2,4-dichlorophenyl)sulfonylethyl]-4-pyridin-1-ium-2-yl-piperazine Formula: C17H20Cl2N3O2S+ MolecularWeight: 401.3306

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCS(=O)(=O)C2=C(C=C(C=C2)Cl)Cl)C3=CC=CC=[NH+]3

Isomeric SMILES

C1CN(CCN1CCS(=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+1