6-bromanyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-2-(trifluoromethyl)quinazoline

Systemtic Name: 6-bromanyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-2-(trifluoromethyl)quinazoline Openeye Name: 6-bromo-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-2-(trifluoromethyl)quinazoline CAS Name: 6-bromo-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-2-(trifluoromethyl)quinazoline IUPAC Name: 6-bromo-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-2-(trifluoromethyl)quinazoline Traditional Name: 6-bromo-4-(4-pyridin-1-ium-2-ylpiperazino)-2-(trifluoromethyl)quinazoline Formula: C18H16BrF3N5+ MolecularWeight: 439.25235

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C3=NC(=NC4=C3C=C(C=C4)Br)C(F)(F)F

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C3=NC(=NC4=C3C=C(C=C4)Br)C(F)(F)F

InChI

InChI=1S/C18H15BrF3N5/c19-12-4-5-14-13(11-12)16(25-17(24-14)18(20,21)22)27-9-7-26(8-10-27)15-3-1-2-6-23-15/h1-6,11H,7-10H2/p+1