2-pyridin-3-yl-4-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]quinazoline

Systemtic Name: 2-pyridin-3-yl-4-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]quinazoline Openeye Name: 2-(3-pyridyl)-4-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]quinazoline CAS Name: 2-(3-pyridinyl)-4-[4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinyl]quinazoline IUPAC Name: 2-pyridin-3-yl-4-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]quinazoline Traditional Name: 2-(3-pyridyl)-4-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazino]quinazoline Formula: C23H20F3N6+ MolecularWeight: 437.44031

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=[NH+]C=C(C=C2)C(F)(F)F)C3=NC(=NC4=CC=CC=C43)C5=CN=CC=C5

Isomeric SMILES

C1CN(CCN1C2=[NH+]C=C(C=C2)C(F)(F)F)C3=NC(=NC4=CC=CC=C43)C5=CN=CC=C5

InChI

InChI=1S/C23H19F3N6/c24-23(25,26)17-7-8-20(28-15-17)31-10-12-32(13-11-31)22-18-5-1-2-6-19(18)29-21(30-22)16-4-3-9-27-14-16/h1-9,14-15H,10-13H2/p+1