6,8-dimethoxy-1,3-dimethyl-2-quinolin-6-yl-isoquinolin-2-ium; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: 6,8-dimethoxy-1,3-dimethyl-2-quinolin-6-yl-isoquinolin-2-ium; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: 6,8-dimethoxy-1,3-dimethyl-2-(6-quinolyl)isoquinolin-2-ium; 2,2,2-trifluoroacetate CAS Name: 6,8-dimethoxy-1,3-dimethyl-2-(6-quinolinyl)isoquinolin-2-ium; 2,2,2-trifluoroacetate IUPAC Name: 6,8-dimethoxy-1,3-dimethyl-2-quinolin-6-ylisoquinolin-2-ium; 2,2,2-trifluoroacetate Traditional Name: 6,8-dimethoxy-1,3-dimethyl-2-(6-quinolyl)isoquinolin-2-ium; 2,2,2-trifluoroacetate Formula: C24H21F3N2O4 MolecularWeight: 458.42975

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC(=CC(=C2C(=[N+]1C3=CC4=C(C=C3)N=CC=C4)C)OC)OC.C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

CC1=CC2=CC(=CC(=C2C(=[N+]1C3=CC4=C(C=C3)N=CC=C4)C)OC)OC.C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C22H21N2O2.C2HF3O2/c1-14-10-17-12-19(25-3)13-21(26-4)22(17)15(2)24(14)18-7-8-20-16(11-18)6-5-9-23-20;3-2(4,5)1(6)7/h5-13H,1-4H3;(H,6,7)/q+1;/p-1