[2,4-bis(bromanyl)-6-[(4-piperazin-4-ium-1-ylphenyl)iminomethyl]phenyl] 3-fluoranylbenzoate

Systemtic Name: [2,4-bis(bromanyl)-6-[(4-piperazin-4-ium-1-ylphenyl)iminomethyl]phenyl] 3-fluoranylbenzoate Openeye Name: [2,4-dibromo-6-[(4-piperazin-4-ium-1-ylphenyl)iminomethyl]phenyl] 3-fluorobenzoate CAS Name: 3-fluorobenzoic acid [2,4-dibromo-6-[[4-(1-piperazin-4-iumyl)phenyl]iminomethyl]phenyl] ester IUPAC Name: [2,4-dibromo-6-[(4-piperazin-4-ium-1-ylphenyl)iminomethyl]phenyl] 3-fluorobenzoate Traditional Name: 3-fluorobenzoic acid [2,4-dibromo-6-[(4-piperazin-4-ium-1-ylphenyl)iminomethyl]phenyl] ester Formula: C24H21Br2FN3O2+ MolecularWeight: 562.248843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=CC=C(C=C2)N=CC3=CC(=CC(=C3OC(=O)C4=CC(=CC=C4)F)Br)Br

Isomeric SMILES

C1CN(CC[NH2+]1)C2=CC=C(C=C2)N=CC3=CC(=CC(=C3OC(=O)C4=CC(=CC=C4)F)Br)Br

InChI

InChI=1S/C24H20Br2FN3O2/c25-18-12-17(15-29-20-4-6-21(7-5-20)30-10-8-28-9-11-30)23(22(26)14-18)32-24(31)16-2-1-3-19(27)13-16/h1-7,12-15,28H,8-11H2/p+1