4-[(E)-[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]iminomethyl]benzoate

Systemtic Name: 4-[(E)-[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]iminomethyl]benzoate Openeye Name: 4-[(E)-[4-(p-tolylmethyl)piperazin-4-ium-1-yl]iminomethyl]benzoate CAS Name: 4-[(E)-[4-[(4-methylphenyl)methyl]-1-piperazin-4-iumyl]iminomethyl]benzoate IUPAC Name: 4-[(E)-[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]iminomethyl]benzoate Traditional Name: 4-[(E)-[4-(4-methylbenzyl)piperazin-4-ium-1-yl]iminomethyl]benzoate Formula: C20H23N3O2 MolecularWeight: 337.41552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O2/c1-16-2-4-18(5-3-16)15-22-10-12-23(13-11-22)21-14-17-6-8-19(9-7-17)20(24)25/h2-9,14H,10-13,15H2,1H3,(H,24,25)/b21-14+