5-fluoranyl-3,3,4,4-tetramethyl-1-quinolin-3-yl-isoquinolin-2-ium

Systemtic Name: 5-fluoranyl-3,3,4,4-tetramethyl-1-quinolin-3-yl-isoquinolin-2-ium Openeye Name: 5-fluoro-3,3,4,4-tetramethyl-1-(3-quinolyl)isoquinolin-2-ium CAS Name: 5-fluoro-3,3,4,4-tetramethyl-1-(3-quinolinyl)isoquinolin-2-ium IUPAC Name: 5-fluoro-3,3,4,4-tetramethyl-1-quinolin-3-ylisoquinolin-2-ium Traditional Name: 5-fluoro-3,3,4,4-tetramethyl-1-(3-quinolyl)isoquinolin-2-ium Formula: C22H22FN2+ MolecularWeight: 333.421883

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC=C2F)C(=[NH+]C1(C)C)C3=CC4=CC=CC=C4N=C3)C

Isomeric SMILES

CC1(C2=C(C=CC=C2F)C(=[NH+]C1(C)C)C3=CC4=CC=CC=C4N=C3)C

InChI

InChI=1S/C22H21FN2/c1-21(2)19-16(9-7-10-17(19)23)20(25-22(21,3)4)15-12-14-8-5-6-11-18(14)24-13-15/h5-13H,1-4H3/p+1