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

Systemtic Name: 6,8-dimethyl-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]-2-(trifluoromethyl)quinazoline Openeye Name: 4-(4-benzylpiperazin-4-ium-1-yl)-6,8-dimethyl-2-(trifluoromethyl)quinazoline CAS Name: 6,8-dimethyl-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2-(trifluoromethyl)quinazoline IUPAC Name: 4-(4-benzylpiperazin-4-ium-1-yl)-6,8-dimethyl-2-(trifluoromethyl)quinazoline Traditional Name: 4-(4-benzylpiperazin-4-ium-1-yl)-6,8-dimethyl-2-(trifluoromethyl)quinazoline Formula: C22H24F3N4+ MolecularWeight: 401.44797

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=NC(=N2)C(F)(F)F)N3CC[NH+](CC3)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=NC(=N2)C(F)(F)F)N3CC[NH+](CC3)CC4=CC=CC=C4)C

InChI

InChI=1S/C22H23F3N4/c1-15-12-16(2)19-18(13-15)20(27-21(26-19)22(23,24)25)29-10-8-28(9-11-29)14-17-6-4-3-5-7-17/h3-7,12-13H,8-11,14H2,1-2H3/p+1