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

Systemtic Name: [2,4-bis(bromanyl)-6-[(4-piperazin-4-ium-1-ylphenyl)iminomethyl]phenyl] 2-bromanylbenzoate Openeye Name: [2,4-dibromo-6-[(4-piperazin-4-ium-1-ylphenyl)iminomethyl]phenyl] 2-bromobenzoate CAS Name: 2-bromobenzoic 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] 2-bromobenzoate Traditional Name: 2-bromobenzoic acid [2,4-dibromo-6-[(4-piperazin-4-ium-1-ylphenyl)iminomethyl]phenyl] ester Formula: C24H21Br3N3O2+ MolecularWeight: 623.15444

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=C4Br)Br)Br

Isomeric SMILES

C1CN(CC[NH2+]1)C2=CC=C(C=C2)N=CC3=CC(=CC(=C3OC(=O)C4=CC=CC=C4Br)Br)Br

InChI

InChI=1S/C24H20Br3N3O2/c25-17-13-16(15-29-18-5-7-19(8-6-18)30-11-9-28-10-12-30)23(22(27)14-17)32-24(31)20-3-1-2-4-21(20)26/h1-8,13-15,28H,9-12H2/p+1