1-(3-chloranyl-4-fluoranyl-phenyl)sulfonyl-4-pyridin-1-ium-2-yl-piperazine

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)sulfonyl-4-pyridin-1-ium-2-yl-piperazine Openeye Name: 1-(3-chloro-4-fluoro-phenyl)sulfonyl-4-pyridin-1-ium-2-yl-piperazine CAS Name: 1-(3-chloro-4-fluorophenyl)sulfonyl-4-(2-pyridin-1-iumyl)piperazine IUPAC Name: 1-(3-chloro-4-fluorophenyl)sulfonyl-4-pyridin-1-ium-2-ylpiperazine Traditional Name: 1-(3-chloro-4-fluoro-phenyl)sulfonyl-4-pyridin-1-ium-2-yl-piperazine Formula: C15H16ClFN3O2S+ MolecularWeight: 356.822843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)S(=O)(=O)C3=CC(=C(C=C3)F)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)S(=O)(=O)C3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C15H15ClFN3O2S/c16-13-11-12(4-5-14(13)17)23(21,22)20-9-7-19(8-10-20)15-3-1-2-6-18-15/h1-6,11H,7-10H2/p+1