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

Systemtic Name: 4-[(E)-[4-(2-methoxyphenyl)piperazin-4-ium-1-yl]iminomethyl]phenolate Openeye Name: 4-[(E)-[4-(2-methoxyphenyl)piperazin-4-ium-1-yl]iminomethyl]phenolate CAS Name: 4-[(E)-[4-(2-methoxyphenyl)-1-piperazin-4-iumyl]iminomethyl]phenolate IUPAC Name: 4-[(E)-[4-(2-methoxyphenyl)piperazin-4-ium-1-yl]iminomethyl]phenolate Traditional Name: 4-[(E)-[4-(2-methoxyphenyl)piperazin-4-ium-1-yl]iminomethyl]phenolate Formula: C18H21N3O2 MolecularWeight: 311.37824

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1[NH+]2CCN(CC2)N=CC3=CC=C(C=C3)[O-]

Isomeric SMILES

COC1=CC=CC=C1[NH+]2CCN(CC2)/N=C/C3=CC=C(C=C3)[O-]

InChI

InChI=1S/C18H21N3O2/c1-23-18-5-3-2-4-17(18)20-10-12-21(13-11-20)19-14-15-6-8-16(22)9-7-15/h2-9,14,22H,10-13H2,1H3/b19-14+