6-methyl-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]carbonyl-chromen-4-one

Systemtic Name: 6-methyl-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]carbonyl-chromen-4-one Openeye Name: 6-methyl-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carbonyl]chromen-4-one CAS Name: 6-methyl-2-[oxo-[4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinyl]methyl]-1-benzopyran-4-one IUPAC Name: 6-methyl-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carbonyl]chromen-4-one Traditional Name: 6-methyl-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carbonyl]chromone Formula: C21H19F3N3O3+ MolecularWeight: 418.38907

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)N3CCN(CC3)C4=[NH+]C=C(C=C4)C(F)(F)F

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)N3CCN(CC3)C4=[NH+]C=C(C=C4)C(F)(F)F

InChI

InChI=1S/C21H18F3N3O3/c1-13-2-4-17-15(10-13)16(28)11-18(30-17)20(29)27-8-6-26(7-9-27)19-5-3-14(12-25-19)21(22,23)24/h2-5,10-12H,6-9H2,1H3/p+1