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

Systemtic Name: 2-ethoxy-4-[(E)-[4-(2-methoxyphenyl)piperazin-4-ium-1-yl]iminomethyl]phenolate Openeye Name: 2-ethoxy-4-[(E)-[4-(2-methoxyphenyl)piperazin-4-ium-1-yl]iminomethyl]phenolate CAS Name: 2-ethoxy-4-[(E)-[4-(2-methoxyphenyl)-1-piperazin-4-iumyl]iminomethyl]phenolate IUPAC Name: 2-ethoxy-4-[(E)-[4-(2-methoxyphenyl)piperazin-4-ium-1-yl]iminomethyl]phenolate Traditional Name: 2-ethoxy-4-[(E)-[4-(2-methoxyphenyl)piperazin-4-ium-1-yl]iminomethyl]phenolate Formula: C20H25N3O3 MolecularWeight: 355.4308

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=NN2CC[NH+](CC2)C3=CC=CC=C3OC)[O-]

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=N/N2CC[NH+](CC2)C3=CC=CC=C3OC)[O-]

InChI

InChI=1S/C20H25N3O3/c1-3-26-20-14-16(8-9-18(20)24)15-21-23-12-10-22(11-13-23)17-6-4-5-7-19(17)25-2/h4-9,14-15,24H,3,10-13H2,1-2H3/b21-15+