[4-[(4-piperazin-4-ium-1-ylphenyl)iminomethyl]phenyl] 4-bromanylbenzoate

Systemtic Name: [4-[(4-piperazin-4-ium-1-ylphenyl)iminomethyl]phenyl] 4-bromanylbenzoate Openeye Name: [4-[(4-piperazin-4-ium-1-ylphenyl)iminomethyl]phenyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [4-[[4-(1-piperazin-4-iumyl)phenyl]iminomethyl]phenyl] ester IUPAC Name: [4-[(4-piperazin-4-ium-1-ylphenyl)iminomethyl]phenyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [4-[(4-piperazin-4-ium-1-ylphenyl)iminomethyl]phenyl] ester Formula: C24H23BrN3O2+ MolecularWeight: 465.36232

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=CC=C(C=C2)N=CC3=CC=C(C=C3)OC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CN(CC[NH2+]1)C2=CC=C(C=C2)N=CC3=CC=C(C=C3)OC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C24H22BrN3O2/c25-20-5-3-19(4-6-20)24(29)30-23-11-1-18(2-12-23)17-27-21-7-9-22(10-8-21)28-15-13-26-14-16-28/h1-12,17,26H,13-16H2/p+1