3-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonylbenzoate

Systemtic Name: 3-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonylbenzoate Openeye Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)benzoate CAS Name: 3-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]benzoate IUPAC Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)benzoate Traditional Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)benzoate Formula: C19H20N2O3 MolecularWeight: 324.3737

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O3/c22-18(16-7-4-8-17(13-16)19(23)24)21-11-9-20(10-12-21)14-15-5-2-1-3-6-15/h1-8,13H,9-12,14H2,(H,23,24)