7-methoxy-4-piperazin-4-ium-1-yl-2-(trifluoromethyl)quinazoline

Systemtic Name: 7-methoxy-4-piperazin-4-ium-1-yl-2-(trifluoromethyl)quinazoline Openeye Name: 7-methoxy-4-piperazin-4-ium-1-yl-2-(trifluoromethyl)quinazoline CAS Name: 7-methoxy-4-(1-piperazin-4-iumyl)-2-(trifluoromethyl)quinazoline IUPAC Name: 7-methoxy-4-piperazin-4-ium-1-yl-2-(trifluoromethyl)quinazoline Traditional Name: 7-methoxy-4-piperazin-4-ium-1-yl-2-(trifluoromethyl)quinazoline Formula: C14H16F3N4O+ MolecularWeight: 313.29825

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=NC(=N2)C(F)(F)F)N3CC[NH2+]CC3

Isomeric SMILES

COC1=CC2=C(C=C1)C(=NC(=N2)C(F)(F)F)N3CC[NH2+]CC3

InChI

InChI=1S/C14H15F3N4O/c1-22-9-2-3-10-11(8-9)19-13(14(15,16)17)20-12(10)21-6-4-18-5-7-21/h2-3,8,18H,4-7H2,1H3/p+1