2-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]quinolin-1-ium

Systemtic Name: 2-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]quinolin-1-ium Openeye Name: 2-[4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]quinolin-1-ium CAS Name: 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinyl]quinolin-1-ium IUPAC Name: 2-[4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]quinolin-1-ium Traditional Name: 2-[4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazino]quinolin-1-ium Formula: C19H18ClF3N4+2 MolecularWeight: 394.82123

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=[NH+]C3=CC=CC=C3C=C2)C4=C(C=C(C=[NH+]4)C(F)(F)F)Cl

Isomeric SMILES

C1CN(CCN1C2=[NH+]C3=CC=CC=C3C=C2)C4=C(C=C(C=[NH+]4)C(F)(F)F)Cl

InChI

InChI=1S/C19H16ClF3N4/c20-15-11-14(19(21,22)23)12-24-18(15)27-9-7-26(8-10-27)17-6-5-13-3-1-2-4-16(13)25-17/h1-6,11-12H,7-10H2/p+2