4-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-2-(trifluoromethyl)quinazoline

Systemtic Name: 4-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-2-(trifluoromethyl)quinazoline Openeye Name: 4-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-2-(trifluoromethyl)quinazoline CAS Name: 4-[4-(2-phenoxyethyl)-1-piperazin-4-iumyl]-2-(trifluoromethyl)quinazoline IUPAC Name: 4-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-2-(trifluoromethyl)quinazoline Traditional Name: 4-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-2-(trifluoromethyl)quinazoline Formula: C21H22F3N4O+ MolecularWeight: 403.42079

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C3=NC(=NC4=CC=CC=C43)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C3=NC(=NC4=CC=CC=C43)C(F)(F)F

InChI

InChI=1S/C21H21F3N4O/c22-21(23,24)20-25-18-9-5-4-8-17(18)19(26-20)28-12-10-27(11-13-28)14-15-29-16-6-2-1-3-7-16/h1-9H,10-15H2/p+1