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

Systemtic Name: 2-[(E)-[4-(4-methylphenyl)piperazin-4-ium-1-yl]iminomethyl]phenolate Openeye Name: 2-[(E)-[4-(p-tolyl)piperazin-4-ium-1-yl]iminomethyl]phenolate CAS Name: 2-[(E)-[4-(4-methylphenyl)-1-piperazin-4-iumyl]iminomethyl]phenolate IUPAC Name: 2-[(E)-[4-(4-methylphenyl)piperazin-4-ium-1-yl]iminomethyl]phenolate Traditional Name: 2-[(E)-[4-(p-tolyl)piperazin-4-ium-1-yl]iminomethyl]phenolate Formula: C18H21N3O MolecularWeight: 295.37884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)[NH+]2CCN(CC2)N=CC3=CC=CC=C3[O-]

Isomeric SMILES

CC1=CC=C(C=C1)[NH+]2CCN(CC2)/N=C/C3=CC=CC=C3[O-]

InChI

InChI=1S/C18H21N3O/c1-15-6-8-17(9-7-15)20-10-12-21(13-11-20)19-14-16-4-2-3-5-18(16)22/h2-9,14,22H,10-13H2,1H3/b19-14+