6,7-dimethyl-4-[[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]methyl]chromen-2-one

Systemtic Name: 6,7-dimethyl-4-[[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]methyl]chromen-2-one Openeye Name: 6,7-dimethyl-4-[[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 6,7-dimethyl-4-[[4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 6,7-dimethyl-4-[[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 6,7-dimethyl-4-[[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]methyl]coumarin Formula: C22H24F3N3O2+2 MolecularWeight: 419.44007

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)C4=[NH+]C=C(C=C4)C(F)(F)F)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)C4=[NH+]C=C(C=C4)C(F)(F)F)C

InChI

InChI=1S/C22H22F3N3O2/c1-14-9-18-16(11-21(29)30-19(18)10-15(14)2)13-27-5-7-28(8-6-27)20-4-3-17(12-26-20)22(23,24)25/h3-4,9-12H,5-8,13H2,1-2H3/p+2