1-[[4-[4-[(4-azanylquinolin-1-ium-1-yl)methyl]phenyl]phenyl]methyl]quinolin-1-ium-4-amine; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: 1-[[4-[4-[(4-azanylquinolin-1-ium-1-yl)methyl]phenyl]phenyl]methyl]quinolin-1-ium-4-amine; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: 1-[[4-[4-[(4-aminoquinolin-1-ium-1-yl)methyl]phenyl]phenyl]methyl]quinolin-1-ium-4-amine; 2,2,2-trifluoroacetate CAS Name: 1-[[4-[4-[(4-amino-1-quinolin-1-iumyl)methyl]phenyl]phenyl]methyl]-4-quinolin-1-iumamine; 2,2,2-trifluoroacetate IUPAC Name: 1-[[4-[4-[(4-aminoquinolin-1-ium-1-yl)methyl]phenyl]phenyl]methyl]quinolin-1-ium-4-amine; 2,2,2-trifluoroacetate Traditional Name: [1-[4-[4-[(4-aminoquinolin-1-ium-1-yl)methyl]phenyl]benzyl]quinolin-1-ium-4-yl]amine; 2,2,2-trifluoroacetate Formula: C36H28F6N4O4 MolecularWeight: 694.622339

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC=[N+]2CC3=CC=C(C=C3)C4=CC=C(C=C4)C[N+]5=CC=C(C6=CC=CC=C65)N)N.C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC=[N+]2CC3=CC=C(C=C3)C4=CC=C(C=C4)C[N+]5=CC=C(C6=CC=CC=C65)N)N.C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C32H26N4.2C2HF3O2/c33-29-17-19-35(31-7-3-1-5-27(29)31)21-23-9-13-25(14-10-23)26-15-11-24(12-16-26)22-36-20-18-30(34)28-6-2-4-8-32(28)36;2*3-2(4,5)1(6)7/h1-20,33-34H,21-22H2;2*(H,6,7)