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

Systemtic Name: 2-bromanyl-4-(phenylmethyl)-6-[(4-piperazin-4-ium-1-ylphenyl)iminomethyl]phenolate Openeye Name: 4-benzyl-2-bromo-6-[(4-piperazin-4-ium-1-ylphenyl)iminomethyl]phenolate CAS Name: 2-bromo-4-(phenylmethyl)-6-[[4-(1-piperazin-4-iumyl)phenyl]iminomethyl]phenolate IUPAC Name: 4-benzyl-2-bromo-6-[(4-piperazin-4-ium-1-ylphenyl)iminomethyl]phenolate Traditional Name: 4-benzyl-2-bromo-6-[(4-piperazin-4-ium-1-ylphenyl)iminomethyl]phenolate Formula: C24H24BrN3O MolecularWeight: 450.37086

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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=C4

Isomeric SMILES

C1CN(CC[NH2+]1)C2=CC=C(C=C2)N=CC3=CC(=CC(=C3[O-])Br)CC4=CC=CC=C4

InChI

InChI=1S/C24H24BrN3O/c25-23-16-19(14-18-4-2-1-3-5-18)15-20(24(23)29)17-27-21-6-8-22(9-7-21)28-12-10-26-11-13-28/h1-9,15-17,26,29H,10-14H2