4-[4-(quinolin-8-ylmethyl)piperazin-4-ium-1-yl]-2-(trifluoromethyl)quinazoline

Systemtic Name: 4-[4-(quinolin-8-ylmethyl)piperazin-4-ium-1-yl]-2-(trifluoromethyl)quinazoline Openeye Name: 4-[4-(8-quinolylmethyl)piperazin-4-ium-1-yl]-2-(trifluoromethyl)quinazoline CAS Name: 4-[4-(8-quinolinylmethyl)-1-piperazin-4-iumyl]-2-(trifluoromethyl)quinazoline IUPAC Name: 4-[4-(quinolin-8-ylmethyl)piperazin-4-ium-1-yl]-2-(trifluoromethyl)quinazoline Traditional Name: 4-[4-(8-quinolylmethyl)piperazin-4-ium-1-yl]-2-(trifluoromethyl)quinazoline Formula: C23H21F3N5+ MolecularWeight: 424.44155

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC3=C2N=CC=C3)C4=NC(=NC5=CC=CC=C54)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC3=C2N=CC=C3)C4=NC(=NC5=CC=CC=C54)C(F)(F)F

InChI

InChI=1S/C23H20F3N5/c24-23(25,26)22-28-19-9-2-1-8-18(19)21(29-22)31-13-11-30(12-14-31)15-17-6-3-5-16-7-4-10-27-20(16)17/h1-10H,11-15H2/p+1