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

Systemtic Name: 6-bromanyl-4-piperazin-4-ium-1-yl-2-(trifluoromethyl)quinazoline Openeye Name: 6-bromo-4-piperazin-4-ium-1-yl-2-(trifluoromethyl)quinazoline CAS Name: 6-bromo-4-(1-piperazin-4-iumyl)-2-(trifluoromethyl)quinazoline IUPAC Name: 6-bromo-4-piperazin-4-ium-1-yl-2-(trifluoromethyl)quinazoline Traditional Name: 6-bromo-4-piperazin-4-ium-1-yl-2-(trifluoromethyl)quinazoline Formula: C13H13BrF3N4+ MolecularWeight: 362.16833

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=NC(=NC3=C2C=C(C=C3)Br)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH2+]1)C2=NC(=NC3=C2C=C(C=C3)Br)C(F)(F)F

InChI

InChI=1S/C13H12BrF3N4/c14-8-1-2-10-9(7-8)11(21-5-3-18-4-6-21)20-12(19-10)13(15,16)17/h1-2,7,18H,3-6H2/p+1