2-[1-[bis(4-fluorophenyl)methyl]piperazin-1-ium-1-yl]carbonylchromen-4-one

Systemtic Name: 2-[1-[bis(4-fluorophenyl)methyl]piperazin-1-ium-1-yl]carbonylchromen-4-one Openeye Name: 2-[1-[bis(4-fluorophenyl)methyl]piperazin-1-ium-1-carbonyl]chromen-4-one CAS Name: 2-[[1-[bis(4-fluorophenyl)methyl]-1-piperazin-1-iumyl]-oxomethyl]-1-benzopyran-4-one IUPAC Name: 2-[1-[bis(4-fluorophenyl)methyl]piperazin-1-ium-1-carbonyl]chromen-4-one Traditional Name: 2-[1-[bis(4-fluorophenyl)methyl]piperazin-1-ium-1-carbonyl]chromone Formula: C27H23F2N2O3+ MolecularWeight: 461.479926

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CCN1)(C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C(=O)C4=CC(=O)C5=CC=CC=C5O4

Isomeric SMILES

C1C[N+](CCN1)(C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C(=O)C4=CC(=O)C5=CC=CC=C5O4

InChI

InChI=1S/C27H23F2N2O3/c28-20-9-5-18(6-10-20)26(19-7-11-21(29)12-8-19)31(15-13-30-14-16-31)27(33)25-17-23(32)22-3-1-2-4-24(22)34-25/h1-12,17,26,30H,13-16H2/q+1