4-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]benzo[h]chromen-2-one

Systemtic Name: 4-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]benzo[h]chromen-2-one Openeye Name: 4-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]benzo[h]chromen-2-one CAS Name: 4-[[4-(4-fluorophenyl)-1-piperazin-1-iumyl]methyl]-2-benzo[h][1]benzopyranone IUPAC Name: 4-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]benzo[h]chromen-2-one Traditional Name: 4-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]benzo[h]chromen-2-one Formula: C24H22FN2O2+ MolecularWeight: 389.442083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=O)OC3=C2C=CC4=CC=CC=C43)C5=CC=C(C=C5)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=O)OC3=C2C=CC4=CC=CC=C43)C5=CC=C(C=C5)F

InChI

InChI=1S/C24H21FN2O2/c25-19-6-8-20(9-7-19)27-13-11-26(12-14-27)16-18-15-23(28)29-24-21-4-2-1-3-17(21)5-10-22(18)24/h1-10,15H,11-14,16H2/p+1