2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-ium-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone

Systemtic Name: 2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-ium-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone Openeye Name: 2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-ium-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone CAS Name: 2-[4-[bis(4-fluorophenyl)methyl]-1-piperazin-1-iumyl]-1-(2-methyl-1H-indol-3-yl)ethanone IUPAC Name: 2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-ium-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone Traditional Name: 2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-ium-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone Formula: C28H28F2N3O+ MolecularWeight: 460.538226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)C[NH+]3CCN(CC3)C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)C[NH+]3CCN(CC3)C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F

InChI

InChI=1S/C28H27F2N3O/c1-19-27(24-4-2-3-5-25(24)31-19)26(34)18-32-14-16-33(17-15-32)28(20-6-10-22(29)11-7-20)21-8-12-23(30)13-9-21/h2-13,28,31H,14-18H2,1H3/p+1