2-ethoxy-6-[(E)-[4-(4-methylphenyl)piperazin-4-ium-1-yl]iminomethyl]phenolate

Systemtic Name: 2-ethoxy-6-[(E)-[4-(4-methylphenyl)piperazin-4-ium-1-yl]iminomethyl]phenolate Openeye Name: 2-ethoxy-6-[(E)-[4-(p-tolyl)piperazin-4-ium-1-yl]iminomethyl]phenolate CAS Name: 2-ethoxy-6-[(E)-[4-(4-methylphenyl)-1-piperazin-4-iumyl]iminomethyl]phenolate IUPAC Name: 2-ethoxy-6-[(E)-[4-(4-methylphenyl)piperazin-4-ium-1-yl]iminomethyl]phenolate Traditional Name: 2-ethoxy-6-[(E)-[4-(p-tolyl)piperazin-4-ium-1-yl]iminomethyl]phenolate Formula: C20H25N3O2 MolecularWeight: 339.4314

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1[O-])C=NN2CC[NH+](CC2)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC1=CC=CC(=C1[O-])/C=N/N2CC[NH+](CC2)C3=CC=C(C=C3)C

InChI

InChI=1S/C20H25N3O2/c1-3-25-19-6-4-5-17(20(19)24)15-21-23-13-11-22(12-14-23)18-9-7-16(2)8-10-18/h4-10,15,24H,3,11-14H2,1-2H3/b21-15+