4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-6,7-dimethoxy-2-(trifluoromethyl)quinazoline

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-6,7-dimethoxy-2-(trifluoromethyl)quinazoline Openeye Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-6,7-dimethoxy-2-(trifluoromethyl)quinazoline CAS Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-6,7-dimethoxy-2-(trifluoromethyl)quinazoline IUPAC Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-6,7-dimethoxy-2-(trifluoromethyl)quinazoline Traditional Name: 6,7-dimethoxy-4-(4-piperonylpiperazin-4-ium-1-yl)-2-(trifluoromethyl)quinazoline Formula: C23H24F3N4O4+ MolecularWeight: 477.45627

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)C(F)(F)F)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)C(F)(F)F)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5)OC

InChI

InChI=1S/C23H23F3N4O4/c1-31-18-10-15-16(11-19(18)32-2)27-22(23(24,25)26)28-21(15)30-7-5-29(6-8-30)12-14-3-4-17-20(9-14)34-13-33-17/h3-4,9-11H,5-8,12-13H2,1-2H3/p+1