1,3-benzodioxol-5-yl-[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: 1,3-benzodioxol-5-yl-[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: 1,3-benzodioxol-5-yl-[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: 1,3-benzodioxol-5-yl-[4-[bis(4-fluorophenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: 1,3-benzodioxol-5-yl-[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]methanone Formula: C25H23F2N2O3+ MolecularWeight: 437.458526

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H22F2N2O3/c26-20-6-1-17(2-7-20)24(18-3-8-21(27)9-4-18)28-11-13-29(14-12-28)25(30)19-5-10-22-23(15-19)32-16-31-22/h1-10,15,24H,11-14,16H2/p+1