2-bromanyl-6-[[4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]phenyl]iminomethyl]-4-nitro-phenolate

Systemtic Name: 2-bromanyl-6-[[4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]phenyl]iminomethyl]-4-nitro-phenolate Openeye Name: 2-bromo-6-[[4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]phenyl]iminomethyl]-4-nitro-phenolate CAS Name: 2-bromo-6-[[4-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]phenyl]iminomethyl]-4-nitrophenolate IUPAC Name: 2-bromo-6-[[4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]phenyl]iminomethyl]-4-nitrophenolate Traditional Name: 2-bromo-6-[[4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]phenyl]iminomethyl]-4-nitro-phenolate Formula: C19H21BrN4O4 MolecularWeight: 449.29844

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCO)C2=CC=C(C=C2)N=CC3=CC(=CC(=C3[O-])Br)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CCO)C2=CC=C(C=C2)N=CC3=CC(=CC(=C3[O-])Br)[N+](=O)[O-]

InChI

InChI=1S/C19H21BrN4O4/c20-18-12-17(24(27)28)11-14(19(18)26)13-21-15-1-3-16(4-2-15)23-7-5-22(6-8-23)9-10-25/h1-4,11-13,25-26H,5-10H2