1-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]-4-naphthalen-2-ylsulfonyl-piperazine

Systemtic Name: 1-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]-4-naphthalen-2-ylsulfonyl-piperazine Openeye Name: 1-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-4-(2-naphthylsulfonyl)piperazine CAS Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridin-1-iumyl]-4-(2-naphthalenylsulfonyl)piperazine IUPAC Name: 1-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-4-naphthalen-2-ylsulfonylpiperazine Traditional Name: 1-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-4-(2-naphthylsulfonyl)piperazine Formula: C20H18ClF3N3O2S+ MolecularWeight: 456.88903

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=[NH+]2)C(F)(F)F)Cl)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=[NH+]2)C(F)(F)F)Cl)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C20H17ClF3N3O2S/c21-18-12-16(20(22,23)24)13-25-19(18)26-7-9-27(10-8-26)30(28,29)17-6-5-14-3-1-2-4-15(14)11-17/h1-6,11-13H,7-10H2/p+1