5-fluoranyl-3,3,4,4-tetramethyl-1-quinolin-3-yl-isoquinoline sulfate

Systemtic Name: 5-fluoranyl-3,3,4,4-tetramethyl-1-quinolin-3-yl-isoquinoline sulfate Openeye Name: 5-fluoro-3,3,4,4-tetramethyl-1-(3-quinolyl)isoquinoline sulfate CAS Name: 5-fluoro-3,3,4,4-tetramethyl-1-(3-quinolinyl)isoquinoline sulfate IUPAC Name: 5-fluoro-3,3,4,4-tetramethyl-1-quinolin-3-ylisoquinoline sulfate Traditional Name: 5-fluoro-3,3,4,4-tetramethyl-1-(3-quinolyl)isoquinoline sulfate Formula: C22H21FN2O4S-2 MolecularWeight: 428.476543

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC=C2F)C(=NC1(C)C)C3=CC4=CC=CC=C4N=C3)C.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CC1(C2=C(C=CC=C2F)C(=NC1(C)C)C3=CC4=CC=CC=C4N=C3)C.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C22H21FN2.H2O4S/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;1-5(2,3)4/h5-13H,1-4H3;(H2,1,2,3,4)/p-2