(2-methylquinolin-4-yl)-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]methanone

Systemtic Name: (2-methylquinolin-4-yl)-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]methanone Openeye Name: (2-methyl-4-quinolyl)-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]methanone CAS Name: (2-methyl-4-quinolinyl)-[4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinyl]methanone IUPAC Name: (2-methylquinolin-4-yl)-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]methanone Traditional Name: (2-methyl-4-quinolyl)-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazino]methanone Formula: C21H20F3N4O+ MolecularWeight: 401.40491

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)C(=O)N3CCN(CC3)C4=[NH+]C=C(C=C4)C(F)(F)F

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)C(=O)N3CCN(CC3)C4=[NH+]C=C(C=C4)C(F)(F)F

InChI

InChI=1S/C21H19F3N4O/c1-14-12-17(16-4-2-3-5-18(16)26-14)20(29)28-10-8-27(9-11-28)19-7-6-15(13-25-19)21(22,23)24/h2-7,12-13H,8-11H2,1H3/p+1