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

Systemtic Name: [4-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]-quinolin-2-yl-methanone Openeye Name: [4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]-(2-quinolyl)methanone CAS Name: [4-[3-chloro-5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinyl]-(2-quinolinyl)methanone IUPAC Name: [4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]-quinolin-2-ylmethanone Traditional Name: [4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazino]-(2-quinolyl)methanone Formula: C20H17ClF3N4O+ MolecularWeight: 421.82339

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=[NH+]2)C(F)(F)F)Cl)C(=O)C3=NC4=CC=CC=C4C=C3

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=[NH+]2)C(F)(F)F)Cl)C(=O)C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C20H16ClF3N4O/c21-15-11-14(20(22,23)24)12-25-18(15)27-7-9-28(10-8-27)19(29)17-6-5-13-3-1-2-4-16(13)26-17/h1-6,11-12H,7-10H2/p+1