4-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-6,8-dimethyl-2-(trifluoromethyl)quinazoline

Systemtic Name: 4-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-6,8-dimethyl-2-(trifluoromethyl)quinazoline Openeye Name: 4-(4-benzhydrylpiperazin-4-ium-1-yl)-6,8-dimethyl-2-(trifluoromethyl)quinazoline CAS Name: 4-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-6,8-dimethyl-2-(trifluoromethyl)quinazoline IUPAC Name: 4-(4-benzhydrylpiperazin-4-ium-1-yl)-6,8-dimethyl-2-(trifluoromethyl)quinazoline Traditional Name: 4-(4-benzhydrylpiperazin-4-ium-1-yl)-6,8-dimethyl-2-(trifluoromethyl)quinazoline Formula: C28H28F3N4+ MolecularWeight: 477.54393

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=NC(=N2)C(F)(F)F)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=NC(=N2)C(F)(F)F)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C

InChI

InChI=1S/C28H27F3N4/c1-19-17-20(2)24-23(18-19)26(33-27(32-24)28(29,30)31)35-15-13-34(14-16-35)25(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-12,17-18,25H,13-16H2,1-2H3/p+1