2,7-bis[3-[1-(4-fluorophenyl)piperazin-1-ium-1-yl]propanoyl]xanthen-9-one

Systemtic Name: 2,7-bis[3-[1-(4-fluorophenyl)piperazin-1-ium-1-yl]propanoyl]xanthen-9-one Openeye Name: 2,7-bis[3-[1-(4-fluorophenyl)piperazin-1-ium-1-yl]propanoyl]xanthen-9-one CAS Name: 2,7-bis[3-[1-(4-fluorophenyl)-1-piperazin-1-iumyl]-1-oxopropyl]-9-xanthenone IUPAC Name: 2,7-bis[3-[1-(4-fluorophenyl)piperazin-1-ium-1-yl]propanoyl]xanthen-9-one Traditional Name: 2,7-bis[3-[1-(4-fluorophenyl)piperazin-1-ium-1-yl]propanoyl]xanthone Formula: C39H40F2N4O4+2 MolecularWeight: 666.756106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CCN1)(CCC(=O)C2=CC3=C(C=C2)OC4=C(C3=O)C=C(C=C4)C(=O)CC[N+]5(CCNCC5)C6=CC=C(C=C6)F)C7=CC=C(C=C7)F

Isomeric SMILES

C1C[N+](CCN1)(CCC(=O)C2=CC3=C(C=C2)OC4=C(C3=O)C=C(C=C4)C(=O)CC[N+]5(CCNCC5)C6=CC=C(C=C6)F)C7=CC=C(C=C7)F

InChI

InChI=1S/C39H40F2N4O4/c40-29-3-7-31(8-4-29)44(21-15-42-16-22-44)19-13-35(46)27-1-11-37-33(25-27)39(48)34-26-28(2-12-38(34)49-37)36(47)14-20-45(23-17-43-18-24-45)32-9-5-30(41)6-10-32/h1-12,25-26,42-43H,13-24H2/q+2