8-fluoranyl-3,3-dimethyl-2,4-dihydro-1H-acridin-9-amine; 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: 8-fluoranyl-3,3-dimethyl-2,4-dihydro-1H-acridin-9-amine; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: 8-fluoro-3,3-dimethyl-2,4-dihydro-1H-acridin-9-amine citrate CAS Name: 8-fluoro-3,3-dimethyl-2,4-dihydro-1H-acridin-9-amine; 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: 8-fluoro-3,3-dimethyl-2,4-dihydro-1H-acridin-9-amine; 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: (8-fluoro-3,3-dimethyl-2,4-dihydro-1H-acridin-9-yl)amine citrate Formula: C21H22FN2O7-3 MolecularWeight: 433.406983

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC2=C(C3=C(C=CC=C3F)N=C2C1)N)C.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

CC1(CCC2=C(C3=C(C=CC=C3F)N=C2C1)N)C.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C15H17FN2.C6H8O7/c1-15(2)7-6-9-12(8-15)18-11-5-3-4-10(16)13(11)14(9)17;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-5H,6-8H2,1-2H3,(H2,17,18);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3