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

Systemtic Name: 1-[2-(4-chlorophenyl)sulfonylethyl]-4-pyridin-1-ium-2-yl-piperazine Openeye Name: 1-[2-(4-chlorophenyl)sulfonylethyl]-4-pyridin-1-ium-2-yl-piperazine CAS Name: 1-[2-(4-chlorophenyl)sulfonylethyl]-4-(2-pyridin-1-iumyl)piperazine IUPAC Name: 1-[2-(4-chlorophenyl)sulfonylethyl]-4-pyridin-1-ium-2-ylpiperazine Traditional Name: 1-[2-(4-chlorophenyl)sulfonylethyl]-4-pyridin-1-ium-2-yl-piperazine Formula: C17H21ClN3O2S+ MolecularWeight: 366.88554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1CN(CCN1CCS(=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+1