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

Systemtic Name: 4-[[4-(phenylmethyl)piperazin-4-ium-1-yl]methyl]benzoate Openeye Name: 4-[(4-benzylpiperazin-4-ium-1-yl)methyl]benzoate CAS Name: 4-[[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]benzoate IUPAC Name: 4-[(4-benzylpiperazin-4-ium-1-yl)methyl]benzoate Traditional Name: 4-[(4-benzylpiperazin-4-ium-1-yl)methyl]benzoate Formula: C19H22N2O2 MolecularWeight: 310.39018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O2/c22-19(23)18-8-6-17(7-9-18)15-21-12-10-20(11-13-21)14-16-4-2-1-3-5-16/h1-9H,10-15H2,(H,22,23)