4-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-ium-1-yl]methyl]-7-ethyl-chromen-2-one

Systemtic Name: 4-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-ium-1-yl]methyl]-7-ethyl-chromen-2-one Openeye Name: 4-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-ium-1-yl]methyl]-7-ethyl-chromen-2-one CAS Name: 4-[[4-[bis(4-fluorophenyl)methyl]-1-piperazin-1-iumyl]methyl]-7-ethyl-1-benzopyran-2-one IUPAC Name: 4-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-ium-1-yl]methyl]-7-ethylchromen-2-one Traditional Name: 4-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-ium-1-yl]methyl]-7-ethyl-coumarin Formula: C29H29F2N2O2+ MolecularWeight: 475.549566

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F

InChI

InChI=1S/C29H28F2N2O2/c1-2-20-3-12-26-23(18-28(34)35-27(26)17-20)19-32-13-15-33(16-14-32)29(21-4-8-24(30)9-5-21)22-6-10-25(31)11-7-22/h3-12,17-18,29H,2,13-16,19H2,1H3/p+1