5-(4-fluorophenyl)-2-[2-(4-hexanoylpiperazin-1-ium-1-yl)ethyliminomethyl]cyclohexane-1,3-dione

Systemtic Name: 5-(4-fluorophenyl)-2-[2-(4-hexanoylpiperazin-1-ium-1-yl)ethyliminomethyl]cyclohexane-1,3-dione Openeye Name: 5-(4-fluorophenyl)-2-[2-(4-hexanoylpiperazin-1-ium-1-yl)ethyliminomethyl]cyclohexane-1,3-dione CAS Name: 5-(4-fluorophenyl)-2-[2-[4-(1-oxohexyl)-1-piperazin-1-iumyl]ethyliminomethyl]cyclohexane-1,3-dione IUPAC Name: 5-(4-fluorophenyl)-2-[2-(4-hexanoylpiperazin-1-ium-1-yl)ethyliminomethyl]cyclohexane-1,3-dione Traditional Name: 2-[2-(4-caproylpiperazin-1-ium-1-yl)ethyliminomethyl]-5-(4-fluorophenyl)cyclohexane-1,3-quinone Formula: C25H35FN3O3+ MolecularWeight: 444.562103

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N1CC[NH+](CC1)CCN=CC2C(=O)CC(CC2=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCCCCC(=O)N1CC[NH+](CC1)CCN=CC2C(=O)CC(CC2=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C25H34FN3O3/c1-2-3-4-5-25(32)29-14-12-28(13-15-29)11-10-27-18-22-23(30)16-20(17-24(22)31)19-6-8-21(26)9-7-19/h6-9,18,20,22H,2-5,10-17H2,1H3/p+1