[2-methoxy-4-[(4-piperazin-4-ium-1-ylphenyl)iminomethyl]phenyl] 4-nitrobenzoate

Systemtic Name: [2-methoxy-4-[(4-piperazin-4-ium-1-ylphenyl)iminomethyl]phenyl] 4-nitrobenzoate Openeye Name: [2-methoxy-4-[(4-piperazin-4-ium-1-ylphenyl)iminomethyl]phenyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-methoxy-4-[[4-(1-piperazin-4-iumyl)phenyl]iminomethyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(4-piperazin-4-ium-1-ylphenyl)iminomethyl]phenyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-methoxy-4-[(4-piperazin-4-ium-1-ylphenyl)iminomethyl]phenyl] ester Formula: C25H25N4O5+ MolecularWeight: 461.4898

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=NC2=CC=C(C=C2)N3CC[NH2+]CC3)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)C=NC2=CC=C(C=C2)N3CC[NH2+]CC3)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H24N4O5/c1-33-24-16-18(17-27-20-5-9-21(10-6-20)28-14-12-26-13-15-28)2-11-23(24)34-25(30)19-3-7-22(8-4-19)29(31)32/h2-11,16-17,26H,12-15H2,1H3/p+1