1-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]benzo[f]chromen-3-one

Systemtic Name: 1-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]benzo[f]chromen-3-one Openeye Name: 1-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]benzo[f]chromen-3-one CAS Name: 1-[[4-(3-chlorophenyl)-1-piperazin-1-iumyl]methyl]-3-benzo[f][1]benzopyranone IUPAC Name: 1-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]benzo[f]chromen-3-one Traditional Name: 1-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]benzo[f]chromen-3-one Formula: C24H22ClN2O2+ MolecularWeight: 405.89668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3)C5=CC(=CC=C5)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C24H21ClN2O2/c25-19-5-3-6-20(15-19)27-12-10-26(11-13-27)16-18-14-23(28)29-22-9-8-17-4-1-2-7-21(17)24(18)22/h1-9,14-15H,10-13,16H2/p+1