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

Systemtic Name: 4-[(2-chlorophenyl)methyl]-2-nitro-6-[(4-piperazin-4-ium-1-ylphenyl)iminomethyl]phenolate Openeye Name: 4-[(2-chlorophenyl)methyl]-2-nitro-6-[(4-piperazin-4-ium-1-ylphenyl)iminomethyl]phenolate CAS Name: 4-[(2-chlorophenyl)methyl]-2-nitro-6-[[4-(1-piperazin-4-iumyl)phenyl]iminomethyl]phenolate IUPAC Name: 4-[(2-chlorophenyl)methyl]-2-nitro-6-[(4-piperazin-4-ium-1-ylphenyl)iminomethyl]phenolate Traditional Name: 4-(2-chlorobenzyl)-2-nitro-6-[(4-piperazin-4-ium-1-ylphenyl)iminomethyl]phenolate Formula: C24H23ClN4O3 MolecularWeight: 450.91742

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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-])[N+](=O)[O-])CC4=CC=CC=C4Cl

Isomeric SMILES

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

InChI

InChI=1S/C24H23ClN4O3/c25-22-4-2-1-3-18(22)13-17-14-19(24(30)23(15-17)29(31)32)16-27-20-5-7-21(8-6-20)28-11-9-26-10-12-28/h1-8,14-16,26,30H,9-13H2