2-bromanyl-4-[(2-chlorophenyl)methyl]-6-[(4-piperazin-4-ium-1-ylphenyl)iminomethyl]phenolate

Systemtic Name: 2-bromanyl-4-[(2-chlorophenyl)methyl]-6-[(4-piperazin-4-ium-1-ylphenyl)iminomethyl]phenolate Openeye Name: 2-bromo-4-[(2-chlorophenyl)methyl]-6-[(4-piperazin-4-ium-1-ylphenyl)iminomethyl]phenolate CAS Name: 2-bromo-4-[(2-chlorophenyl)methyl]-6-[[4-(1-piperazin-4-iumyl)phenyl]iminomethyl]phenolate IUPAC Name: 2-bromo-4-[(2-chlorophenyl)methyl]-6-[(4-piperazin-4-ium-1-ylphenyl)iminomethyl]phenolate Traditional Name: 2-bromo-4-(2-chlorobenzyl)-6-[(4-piperazin-4-ium-1-ylphenyl)iminomethyl]phenolate Formula: C24H23BrClN3O MolecularWeight: 484.81592

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=CC=C(C=C2)N=CC3=CC(=CC(=C3[O-])Br)CC4=CC=CC=C4Cl

Isomeric SMILES

C1CN(CC[NH2+]1)C2=CC=C(C=C2)N=CC3=CC(=CC(=C3[O-])Br)CC4=CC=CC=C4Cl

InChI

InChI=1S/C24H23BrClN3O/c25-22-15-17(13-18-3-1-2-4-23(18)26)14-19(24(22)30)16-28-20-5-7-21(8-6-20)29-11-9-27-10-12-29/h1-8,14-16,27,30H,9-13H2