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

Systemtic Name: 1-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]-4-(3-pyrrol-1-ylpyridin-1-ium-2-yl)piperazine Openeye Name: 1-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-4-(3-pyrrol-1-ylpyridin-1-ium-2-yl)piperazine CAS Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridin-1-iumyl]-4-[3-(1-pyrrolyl)-2-pyridin-1-iumyl]piperazine IUPAC Name: 1-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-4-(3-pyrrol-1-ylpyridin-1-ium-2-yl)piperazine Traditional Name: 1-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-4-(3-pyrrol-1-ylpyridin-1-ium-2-yl)piperazine Formula: C19H19ClF3N5+2 MolecularWeight: 409.83587

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=CC=[NH+]2)N3C=CC=C3)C4=C(C=C(C=[NH+]4)C(F)(F)F)Cl

Isomeric SMILES

C1CN(CCN1C2=C(C=CC=[NH+]2)N3C=CC=C3)C4=C(C=C(C=[NH+]4)C(F)(F)F)Cl

InChI

InChI=1S/C19H17ClF3N5/c20-15-12-14(19(21,22)23)13-25-17(15)27-8-10-28(11-9-27)18-16(4-3-5-24-18)26-6-1-2-7-26/h1-7,12-13H,8-11H2/p+2