6,7-dimethoxy-4-piperazin-4-ium-1-yl-2-(trifluoromethyl)quinazoline

Systemtic Name: 6,7-dimethoxy-4-piperazin-4-ium-1-yl-2-(trifluoromethyl)quinazoline Openeye Name: 6,7-dimethoxy-4-piperazin-4-ium-1-yl-2-(trifluoromethyl)quinazoline CAS Name: 6,7-dimethoxy-4-(1-piperazin-4-iumyl)-2-(trifluoromethyl)quinazoline IUPAC Name: 6,7-dimethoxy-4-piperazin-4-ium-1-yl-2-(trifluoromethyl)quinazoline Traditional Name: 6,7-dimethoxy-4-piperazin-4-ium-1-yl-2-(trifluoromethyl)quinazoline Formula: C15H18F3N4O2+ MolecularWeight: 343.32423

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)C(F)(F)F)N3CC[NH2+]CC3)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)C(F)(F)F)N3CC[NH2+]CC3)OC

InChI

InChI=1S/C15H17F3N4O2/c1-23-11-7-9-10(8-12(11)24-2)20-14(15(16,17)18)21-13(9)22-5-3-19-4-6-22/h7-8,19H,3-6H2,1-2H3/p+1