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

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-6-methyl-2-(trifluoromethyl)quinazoline Openeye Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-6-methyl-2-(trifluoromethyl)quinazoline CAS Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-6-methyl-2-(trifluoromethyl)quinazoline IUPAC Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-6-methyl-2-(trifluoromethyl)quinazoline Traditional Name: 6-methyl-4-(4-piperonylpiperazin-4-ium-1-yl)-2-(trifluoromethyl)quinazoline Formula: C22H22F3N4O2+ MolecularWeight: 431.43089

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N=C2N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5)C(F)(F)F

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N=C2N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5)C(F)(F)F

InChI

InChI=1S/C22H21F3N4O2/c1-14-2-4-17-16(10-14)20(27-21(26-17)22(23,24)25)29-8-6-28(7-9-29)12-15-3-5-18-19(11-15)31-13-30-18/h2-5,10-11H,6-9,12-13H2,1H3/p+1