[4-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]iminomethyl]phenyl] 4-bromanylbenzoate

Systemtic Name: [4-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]iminomethyl]phenyl] 4-bromanylbenzoate Openeye Name: [4-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]iminomethyl]phenyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [4-[[4-(4-ethyl-1-piperazin-4-iumyl)phenyl]iminomethyl]phenyl] ester IUPAC Name: [4-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]iminomethyl]phenyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [4-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]iminomethyl]phenyl] ester Formula: C26H27BrN3O2+ MolecularWeight: 493.41548

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)N=CC3=CC=C(C=C3)OC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)N=CC3=CC=C(C=C3)OC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C26H26BrN3O2/c1-2-29-15-17-30(18-16-29)24-11-9-23(10-12-24)28-19-20-3-13-25(14-4-20)32-26(31)21-5-7-22(27)8-6-21/h3-14,19H,2,15-18H2,1H3/p+1