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

Systemtic Name: 4-[(E)-[4-(phenylmethyl)piperazin-4-ium-1-yl]iminomethyl]benzoate Openeye Name: 4-[(E)-(4-benzylpiperazin-4-ium-1-yl)iminomethyl]benzoate CAS Name: 4-[(E)-[4-(phenylmethyl)-1-piperazin-4-iumyl]iminomethyl]benzoate IUPAC Name: 4-[(E)-(4-benzylpiperazin-4-ium-1-yl)iminomethyl]benzoate Traditional Name: 4-[(E)-(4-benzylpiperazin-4-ium-1-yl)iminomethyl]benzoate Formula: C19H21N3O2 MolecularWeight: 323.38894

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)N=CC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)/N=C/C3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C19H21N3O2/c23-19(24)18-8-6-16(7-9-18)14-20-22-12-10-21(11-13-22)15-17-4-2-1-3-5-17/h1-9,14H,10-13,15H2,(H,23,24)/b20-14+